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Mark Sansom

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Phillip J Stansfeld; Elizabeth E Jefferys; Mark S P Sansom
Multiscale simulations reveal conserved patterns of lipid interactions with aquaporins.
Daniel L Parton; Marc Baaden; Alex Tek; Mark S P Sansom
Formation of Raft-Like Assemblies within Clusters of Influenza Hemagglutinin Observed by MD Simulations.
Joseph E Goose; Mark S P Sansom
Reduced lateral mobility of lipids and proteins in crowded membranes.

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All Publications

2013: Phillip J Stansfeld; Elizabeth E Jefferys; Mark S P Sansom
Multiscale simulations reveal conserved patterns of lipid interactions with aquaporins.
Structure (London, England : 1993) 2013;21(5):810-9.
2013: Daniel L Parton; Marc Baaden; Alex Tek; Mark S P Sansom
Formation of Raft-Like Assemblies within Clusters of Influenza Hemagglutinin Observed by MD Simulations.
PLoS computational biology 2013;9(4):e1003034.
2013: Joseph E Goose; Mark S P Sansom
Reduced lateral mobility of lipids and proteins in crowded membranes.
PLoS computational biology 2013;9(4):e1003033.
2013: Andrew Quigley; Mark S P Sansom; Leela Shrestha; Phillip J Stansfeld; Frank von Delft; Georgina Berridge; Chas Bountra; Alex N Bullock; Nicola A Burgess-Brown; Liang Dong; Yin Yao Dong; Aled M Edwards; Ashley C W Pike; Elisabeth P Carpenter
The structural basis of ZMPSTE24-dependent laminopathies.
Science (New York, N.Y.) 2013;339(6127):1604-7.
2013: Fernanda Rodriguez; Sarah L Rouse; Mark S P Sansom; Ben C Berks; Antonio De Riso; Jeffrey Harmer; Claudia E Tait; Christiane R Timmel; Jason R Schnell
Structural model for the protein-translocating element of the twin-arginine transport system.
Proceedings of the National Academy of Sciences of the United States of America 2013;110(12):E1092-101.
2013: Craig N Lumb; Mark S P Sansom
Defining the membrane-associated state of the PTEN tumor suppressor protein.
Biophysical journal 2013;104(3):613-21.
2013: Constantina Fotinou; Ange Polidori; Bernard Pucci; Mark S P Sansom; Catherine Vénien-Bryan; Jussi Aittoniemi; Heidi de Wet; Frances M Ashcroft
Tetrameric structure of SUR2B revealed by electron microscopy of oriented single particles.
The FEBS journal 2013;280(4):1051-63.
2013: Daniel A Holdbrook; Thomas J Piggot; Mark S P Sansom; Syma Khalid
Stability and membrane interactions of an autotransport protein: MD simulations of the Hia translocator domain in a complex membrane environment.
Biochimica et biophysica acta 2013;1828(2):715-23.
2013: Matthias R Schmidt; Phillip J Stansfeld; Stephen J Tucker; Mark S P Sansom
Simulation-based prediction of phosphatidylinositol 4,5-bisphosphate binding to an ion channel.
Biochemistry 2013;52(2):279-81.
2012: Luke A Yates; Ruta Zalyte; Craig N Lumb; Raymond J Owens; Mark S P Sansom; Louise E Bird; Nina N Brahme; David A Calderwood; Luigi De Colibus; Robert J C Gilbert
Structural and functional characterization of the kindlin-1 pleckstrin homology domain.
The Journal of biological chemistry 2012;287(52):43246-61.
2012: Sarah E Rollauer; Pietro Roversi; Mark S P Sansom; Phillip J Stansfeld; Michael J Tarry; Sai-Man Liu; Michael J Lukey; Julien Marcoux; Melanie A McDowell; Tracy Palmer; Carol V Robinson; Fernanda Rodriguez; Ben C Berks; James E Graham; Martin Högbom; Mari Jääskeläinen; Franziska Jäger; Steven Johnson; Martin Krehenbrink; Susan M Lea
Structure of the TatC core of the twin-arginine protein transport system.
Nature 2012;492(7428):210-4.
2012: Yohei Norimatsu; Nicolette O'Donnell; Mark S P Sansom; Christopher Alexander; Leah Frye; Anthony Ivetac; David C Dawson
Locating a plausible binding site for an open-channel blocker, GlyH-101, in the pore of the cystic fibrosis transmembrane conductance regulator.
Molecular pharmacology 2012;82(6):1042-55.
2012: Jean-Marc Crowet; Benjamin A Hall; Laurence Lins; Daniel L Parton; Robert Brasseur; Sven Steinhauer; Mark S P Sansom
Multi-scale simulation of the simian immunodeficiency virus fusion peptide.
The journal of physical chemistry. B 2012;116(46):13713-21.
2012: Vitaly V Vostrikov; Mark S P Sansom; Benjamin Andrew Hall; Roger E Koeppe
Accommodation of a central arginine in a transmembrane peptide by changing the placement of anchor residues.
The journal of physical chemistry. B 2012;116(43):12980-90.
2012: Markus Rapedius; Mark S P Sansom; Matthias R Schmidt; Chetan Sharma; Phillip J Stansfeld; Thomas Baukrowitz; Stephen J Tucker
State-independent intracellular access of quaternary ammonium blockers to the pore of TREK-1.
Channels (Austin, Tex.) 2012;6(6):473-8.
2012: Heidi de Wet; Mathilde Lafond; Mark S P Sansom; Kenju Shimomura; Nawaz Ahmad; Jussi Aittoniemi; Frances M Ashcroft
A universally conserved residue in the SUR1 subunit of the KATP channel is essential for translating nucleotide binding at SUR1 into channel opening.
The Journal of physiology 2012;590(Pt 20):5025-36.
2012: Manfred Lindau; Oliver Beckstein; Alan Chetwynd; Benjamin Andrew Hall; Mark S P Sansom
Coarse-grain simulations reveal movement of the synaptobrevin C-terminus in response to piconewton forces.
Biophysical journal 2012;103(5):959-69.
2012: Anna Caroline E Dahl; Matthieu Chavent; Mark S P Sansom
Bendix: intuitive helix geometry analysis and abstraction.
Bioinformatics (Oxford, England) 2012;28(16):2193-4.
2012: Daniel L Parton; Elena V Akhmatskaya; Mark S P Sansom
Multiscale simulations of the antimicrobial peptide maculatin 1.1: water permeation through disordered aggregates.
The journal of physical chemistry. B 2012;116(29):8485-93.
2012: Rebeca García-Fandiño; Mark S P Sansom
Designing biomimetic pores based on carbon nanotubes.
Proceedings of the National Academy of Sciences of the United States of America 2012;109(18):6939-44.
2012: Yohei Norimatsu; Nicolette O'Donnell; Christopher Alexander; David C Dawson; Anthony Ivetac; John Kirkham; Mark S P Sansom
Cystic fibrosis transmembrane conductance regulator: a molecular model defines the architecture of the anion conduction path and locates a "bottleneck" in the pore.
Biochemistry 2012;51(11):2199-212.
2012: Vassiliy N Bavro; Rita De Zorzi; João R C Muniz; Mark S P Sansom; Matthias R Schmidt; Catherine Vénien-Bryan; Lejla Zubcevic; Stephen J Tucker
Structure of a KirBac potassium channel with an open bundle crossing indicates a mechanism of channel gating.
Nature structural & molecular biology 2012;19(2):158-63.
2012: Benjamin Andrew Hall; Judith P Armitage; Mark S P Sansom
Mechanism of bacterial signal transduction revealed by molecular dynamics of Tsr dimers and trimers of dimers in lipid vesicles.
PLoS computational biology 2012;8(9):e1002685.
2012: Craig N Lumb; Mark S P Sansom
Finding a needle in a haystack: the role of electrostatics in target lipid recognition by PH domains.
PLoS computational biology 2012;8(7):e1002617.
2012: Isabelle Andres-Enguix; Zameel M Cader; George C Ebers; Lyn R Griffiths; Ronald G Lafrenière; Julia M Morahan; Guy A Rouleau; Bishakha Roy; Mark S P Sansom; Lijun Shang; Phillip J Stansfeld; Stephen J Tucker
Functional analysis of missense variants in the TRESK (KCNK18) K channel.
Scientific reports 2012;2():237.
2011: Phillip J Stansfeld; Mark S P Sansom
Molecular simulation approaches to membrane proteins.
Structure (London, England : 1993) 2011;19(11):1562-72.
2011: Antreas C Kalli; Iain D Campbell; Benjamin Andrew Hall; Mark S P Sansom
A helix heterodimer in a lipid bilayer: prediction of the structure of an integrin transmembrane domain via multiscale simulations.
Structure (London, England : 1993) 2011;19(10):1477-84.
2011: Benjamin Andrew Hall; Judith P Armitage; Mark S P Sansom
Transmembrane helix dynamics of bacterial chemoreceptors supports a piston model of signalling.
PLoS computational biology 2011;7(10):e1002204.
2011: Craig N Lumb; Ju He; Tatiana G Kutateladze; Robert V Stahelin; Phillip J Stansfeld; Yi Xue; Mark S P Sansom
Biophysical and computational studies of membrane penetration by the GRP1 pleckstrin homology domain.
Structure (London, England : 1993) 2011;19(9):1338-46.
2011: Paula L Piechotta; Markus Rapedius; Mark S P Sansom; Phillip J Stansfeld; Stephen J Tucker; Gunter Ehrlich; Murali K Bollepalli; Niels Decher; Gunter Erhlich; Hariolf Fritzenschaft; Isabelle Andres-Enguix; Thomas Baukrowitz
The pore structure and gating mechanism of K2P channels.
The EMBO journal 2011;30(17):3607-19.
2011: Vlad Cojocaru; Mark S P Sansom; Kia Balali-Mood; Rebecca C Wade
Structure and dynamics of the membrane-bound cytochrome P450 2C9.
PLoS computational biology 2011;7(8):e1002152.
2011: Antreas C Kalli; Iain D Campbell; Mark S P Sansom
Multiscale simulations suggest a mechanism for integrin inside-out activation.
Proceedings of the National Academy of Sciences of the United States of America 2011;108(29):11890-5.
2011: Roope Männikkö; Mark S P Sansom; Phillip J Stansfeld; Alexandra S Ashcroft; Sian Ellard; Andrew T Hattersley; Frances M Ashcroft
A conserved tryptophan at the membrane-water interface acts as a gatekeeper for Kir6.2/SUR1 channels and causes neonatal diabetes when mutated.
The Journal of physiology 2011;589(Pt 13):3071-83.
2011: Anne K Streit; Michael F Netter; Franca Kempf; Magdalena Walecki; Susanne Rinné; Murali K Bollepalli; Regina Preisig-Müller; Vijay Renigunta; Jürgen Daut; Thomas Baukrowitz; Mark S P Sansom; Phillip J Stansfeld; Niels Decher
A specific two-pore domain potassium channel blocker defines the structure of the TASK-1 open pore.
The Journal of biological chemistry 2011;286(16):13977-84.
2011: Benjamin Andrew Hall; Alan P Chetwynd; Mark S P Sansom
Exploring peptide-membrane interactions with coarse-grained MD simulations.
Biophysical journal 2011;100(8):1940-8.
2011: Younes Mokrab; Mark S P Sansom
Interaction of diverse voltage sensor homologs with lipid bilayers revealed by self-assembly simulations.
Biophysical journal 2011;100(4):875-84.
2011: Chze Ling Wee; Alan Chetwynd; Mark S P Sansom
Membrane insertion of a voltage sensor helix.
Biophysical journal 2011;100(2):410-9.
2011: Simon Newstead; David Drew; Alexander D Cameron; Vincent Postis; Xiaobing Xia; Philip W Fowler; Jean C Ingram; Elisabeth P Carpenter; Mark S P Sansom; Michael J McPherson; Stephen A Baldwin; So Iwata
Crystal structure of a prokaryotic homologue of the mammalian oligopeptide-proton symporters, PepT1 and PepT2.
The EMBO journal 2011;30(2):417-26.
2011: Simone Weyand; Tatsuro Shimamura; Oliver Beckstein; Mark S P Sansom; So Iwata; Peter J F Henderson; Alexander D Cameron
The alternating access mechanism of transport as observed in the sodium-hydantoin transporter Mhp1.
Journal of synchrotron radiation 2011;18(1):20-3.
2010: Jennifer J Paynter; Isabelle Andres-Enguix; Philip W Fowler; Stephen Tottey; Wayland Cheng; Decha Enkvetchakul; Vassiliy N Bavro; Yoshio Kusakabe; Mark S P Sansom; Nigel J Robinson; Colin G Nichols; Stephen J Tucker
Functional complementation and genetic deletion studies of KirBac channels: activatory mutations highlight gating-sensitive domains.
The Journal of biological chemistry 2010;285(52):40754-61.
2010: Alan Chetwynd; Chze Ling Wee; Benjamin Andrew Hall; Mark S P Sansom
The energetics of transmembrane helix insertion into a lipid bilayer.
Biophysical journal 2010;99(8):2534-40.
2010: Antreas C Kalli; Kate L Wegener; Benjamin T Goult; Nicholas J Anthis; Iain D Campbell; Mark S P Sansom
The structure of the talin/integrin complex at a lipid bilayer: an NMR and MD simulation study.
Structure (London, England : 1993) 2010;18(10):1280-8.
2010: José Alejandro Heredia-Guerrero; MA San Miguel; Mark S P Sansom; Antonio Heredia; José Jesús Benítez
Aleuritic (9,10,16-trihydroxypalmitic) acid self-assembly on mica.
Physical chemistry chemical physics : PCCP 2010;12(35):10423-8.
2010: Jan Domański; Phillip J Stansfeld; Mark S P Sansom; Oliver Beckstein
Lipidbook: a public repository for force-field parameters used in membrane simulations.
The Journal of membrane biology 2010;236(3):255-8.
2010: Scott Ramsey; Younes Mokrab; Ingrid Carvacho; Zara A Sands; Mark S P Sansom; David E Clapham
An aqueous H+ permeation pathway in the voltage-gated proton channel Hv1.
Nature structural & molecular biology 2010;17(7):869-75.
2010: E Jayne Wallace; Robert S G D'Rozario; Beatriz Mendoza Sanchez; Mark S P Sansom
A multiscale simulation study of carbon nanotube interactions with designed amphiphilic peptide helices.
Nanoscale 2010;2(6):967-75.
2010: Jussi Aittoniemi; Heidi de Wet; Frances M Ashcroft; Mark S P Sansom
Asymmetric switching in a homodimeric ABC transporter: a simulation study.
PLoS computational biology 2010;6(4):e1000762.
2010: Emi Psachoulia; David P Marshall; Mark S P Sansom
Molecular dynamics simulations of the dimerization of transmembrane alpha-helices.
Accounts of chemical research 2010;43(3):388-96.
2009: Prapasiri Pongprayoon; Oliver Beckstein; Chze Ling Wee; Mark S P Sansom
Simulations of anion transport through OprP reveal the molecular basis for high affinity and selectivity for phosphate.
Proceedings of the National Academy of Sciences of the United States of America 2009;106(51):21614-8.
2009: Phillip J Stansfeld; Richard Hopkinson; Frances M Ashcroft; Mark S P Sansom
PIP(2)-binding site in Kir channels: definition by multiscale biomolecular simulations.
Biochemistry 2009;48(46):10926-33.
2009: Sarah L Rouse; Timothy Carpenter; Phillip J Stansfeld; Mark S P Sansom
Simulations of the BM2 proton channel transmembrane domain from influenza virus B.
Biochemistry 2009;48(42):9949-51.
2009: Kaihsu Tai; Phillip J Stansfeld; Mark S P Sansom
Ion-blocking sites of the Kir2.1 channel revealed by multiscale modeling.
Biochemistry 2009;48(36):8758-63.
2009: Simon Newstead; Philip W Fowler; Paul Bilton; Elisabeth P Carpenter; Peter J Sadler; Dominic J Campopiano; Mark S P Sansom; So Iwata
Insights into how nucleotide-binding domains power ABC transport.
Structure (London, England : 1993) 2009;17(9):1213-22.
2009: Marie-Pierre Durrieu; Peter J Bond; Mark S P Sansom; Richard Lavery; Marc Baaden
Coarse-grain simulations of the R-SNARE fusion protein in its membrane environment detect long-lived conformational sub-states.
Chemphyschem : a European journal of chemical physics and physical chemistry 2009;10(9-10):1548-52.
2009: Emi Psachoulia; Mark S P Sansom
PX- and FYVE-mediated interactions with membranes: simulation studies.
Biochemistry 2009;48(23):5090-5.
2009: Jochen W Klingelhoefer; Timothy Carpenter; Mark S P Sansom
Peptide nanopores and lipid bilayers: interactions by coarse-grained molecular-dynamics simulations.
Biophysical journal 2009;96(9):3519-28.
2009: Katherine Cox; Mark S P Sansom
One membrane protein, two structures and six environments: a comparative molecular dynamics simulation study of the bacterial outer membrane protein PagP.
Molecular membrane biology 2009;26(4):205-14.
2009: Kaihsu Tai; haider shozeb; Alessandro Grottesi; Mark S P Sansom
Ion channel gates: comparative analysis of energy barriers.
European biophysics journal : EBJ 2009;38(4):347-54.
2009: Robert S G D'Rozario; Chze Ling Wee; E Jayne Wallace; Mark S P Sansom
The interaction of C60 and its derivatives with a lipid bilayer via molecular dynamics simulations.
Nanotechnology 2009;20(11):115102.
2009: Kia Balali-Mood; Peter Bond; Mark S P Sansom
Interaction of monotopic membrane enzymes with a lipid bilayer: a coarse-grained MD simulation study.
Biochemistry 2009;48(10):2135-45.
2009: E Jayne Wallace; Mark S P Sansom
Carbon nanotube self-assembly with lipids and detergent: a molecular dynamics study.
Nanotechnology 2009;20(4):045101.
2008: Syma Khalid; Peter Bond; John Holyoake; Robert W Hawtin; Mark S P Sansom
DNA and lipid bilayers: self-assembly and insertion.
Journal of the Royal Society, Interface / the Royal Society 2008;5 Suppl 3():S241-50.
2008: Alain J Labro; Adam L Raes; Alessandro Grottesi; Diane Van Hoorick; Mark S P Sansom; Dirk J Snyders
Kv channel gating requires a compatible S4-S5 linker and bottom part of S6, constrained by non-interacting residues.
The Journal of general physiology 2008;132(6):667-80.
2008: Alan P Chetwynd; Kathryn A Scott; Younes Mokrab; Mark S P Sansom
CGDB: a database of membrane protein/lipid interactions by coarse-grained molecular dynamics simulations.
Molecular membrane biology 2008;25(8):662-9.
2008: Philip W Fowler; Kaihsu Tai; Mark S P Sansom
The selectivity of K+ ion channels: testing the hypotheses.
Biophysical journal 2008;95(11):5062-72.
2008: Peter Bond; Chze Ling Wee; Mark S P Sansom
Coarse-grained molecular dynamics simulations of the energetics of helix insertion into a lipid bilayer.
Biochemistry 2008;47(43):11321-31.
2008: Emi Psachoulia; Philip W Fowler; Peter Bond; Mark S P Sansom
Helix-helix interactions in membrane proteins: coarse-grained simulations of glycophorin a helix dimerization.
Biochemistry 2008;47(40):10503-12.
2008: Peter Bond; Daniel L Parton; James F Clark; Mark S P Sansom
Coarse-grained simulations of the membrane-active antimicrobial Peptide maculatin 1.1.
Biophysical journal 2008;95(8):3802-15.
2008: Chze Ling Wee; David J Gavaghan; Mark S P Sansom
Lipid bilayer deformation and the free energy of interaction of a Kv channel gating-modifier toxin.
Biophysical journal 2008;95(8):3816-26.
2008: Timothy Carpenter; Peter Bond; Syma Khalid; Mark S P Sansom
Self-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channel.
Biophysical journal 2008;95(8):3790-801.
2008: Robert S G D'Rozario; Mark S P Sansom
Helix dynamics in a membrane transport protein: comparative simulations of the glycerol-3-phosphate transporter and its constituent helices.
Molecular membrane biology 2008;25(6-7):571-83.
2008: Jennifer M Johnston; Syma Khalid; Mark S P Sansom
Conformational dynamics of the mitochondrial ADP/ATP carrier: a simulation study.
Molecular membrane biology 2008;25(6-7):506-17.
2008: E Jayne Wallace; Mark S P Sansom
Blocking of carbon nanotube based nanoinjectors by lipids: a simulation study.
Nano letters 2008;8(9):2751-6.
2008: Syma Khalid; Peter Bond; Timothy Carpenter; Mark S P Sansom
OmpA: gating and dynamics via molecular dynamics simulations.
Biochimica et biophysica acta 2008;1778(9):1871-80.
2008: Maria Luisa Rodrigues; Kathryn A Scott; Mark S P Sansom; Inês A C Pereira; Margarida Archer
Quinol oxidation by c-type cytochromes: structural characterization of the menaquinol binding site of NrfHA.
Journal of molecular biology 2008;381(2):341-50.
2008: Chze Ling Wee; Kia Balali-Mood; David J Gavaghan; Mark S P Sansom
The interaction of phospholipase A2 with a phospholipid bilayer: coarse-grained molecular dynamics simulations.
Biophysical journal 2008;95(4):1649-57.
2008: Phillip J Stansfeld; Alessandro Grottesi; Zara A Sands; Mark S P Sansom; Peter Gedeck; Martin Gosling; Brian Cox; Peter R Stanfield; John S Mitcheson; Michael J Sutcliffe
Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations.
Biochemistry 2008;47(28):7414-22.
2008: Heidi de Wet; Peter Proks; Mathilde Lafond; Jussi Aittoniemi; Mark S P Sansom; Sarah Flanagan; Ewan R Pearson; Andrew T Hattersley; Frances M Ashcroft
A mutation (R826W) in nucleotide-binding domain 1 of ABCC8 reduces ATPase activity and causes transient neonatal diabetes.
EMBO reports 2008;9(7):648-54.
2008: Alain J Labro; Alessandro Grottesi; Mark S P Sansom; Adam L Raes; Dirk J Snyders
A Kv channel with an altered activation gate sequence displays both "fast" and "slow" activation kinetics.
American journal of physiology. Cell physiology 2008;294(6):C1476-84.
2008: Shiva Amiri; Masaru Shimomura; Ranjit Vijayan; Hisashi Nishiwaki; Miki Akamatsu; Kazuhiko Matsuda; Andrew Ken Jones; Mark S P Sansom; Philip C Biggin; David B Sattelle
A role for Leu118 of loop E in agonist binding to the alpha 7 nicotinic acetylcholine receptor.
Molecular pharmacology 2008;73(6):1659-67.
2008: Chze Ling Wee; Mark S P Sansom; Sebastian Reich; Elena Akhmatskaya
Improved sampling for simulations of interfacial membrane proteins: application of generalized shadow hybrid Monte Carlo to a peptide toxin/bilayer system.
The journal of physical chemistry. B 2008;112(18):5710-7.
2008: Min Chen; Syma Khalid; Mark S P Sansom; Hagan Bayley
Outer membrane protein G: Engineering a quiet pore for biosensing.
Proceedings of the National Academy of Sciences of the United States of America 2008;105(17):6272-7.
2008: Emi Psachoulia; Mark S P Sansom
Interactions of the pleckstrin homology domain with phosphatidylinositol phosphate and membranes: characterization via molecular dynamics simulations.
Biochemistry 2008;47(14):4211-20.
2008: Kathryn A Scott; Peter Bond; Anthony Ivetac; Alan P Chetwynd; Syma Khalid; Mark S P Sansom
Coarse-grained MD simulations of membrane protein-bilayer self-assembly.
Structure (London, England : 1993) 2008;16(4):621-30.
2008: Anthony Ivetac; Mark S P Sansom
Molecular dynamics simulations and membrane protein structure quality.
European biophysics journal : EBJ 2008;37(4):403-9.
2008: Mark S P Sansom; Kathryn A Scott; Peter Bond
Coarse-grained simulation: a high-throughput computational approach to membrane proteins.
Biochemical Society transactions 2008;36(Pt 1):27-32.
2008: Katherine Cox; Peter Bond; Alessandro Grottesi; Marc Baaden; Mark S P Sansom
Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers.
European biophysics journal : EBJ 2008;37(2):131-41.
2008: Kaihsu Tai; Philip Fowler; Younes Mokrab; Phillip Stansfeld; Mark S P Sansom
Molecular modeling and simulation studies of ion channel structures, dynamics and mechanisms.
Methods in cell biology 2008;90():233-65.
2007: Heidi de Wet; Mathew G Rees; Kenju Shimomura; Jussi Aittoniemi; Ann-Marie Patch; Sarah Flanagan; Sian Ellard; Andrew T Hattersley; Mark S P Sansom; Frances M Ashcroft
Increased ATPase activity produced by mutations at arginine-1380 in nucleotide-binding domain 2 of ABCC8 causes neonatal diabetes.
Proceedings of the National Academy of Sciences of the United States of America 2007;104(48):18988-92.
2007: Daniel Stokeley; Daniele Bemporad; David J Gavaghan; Mark S P Sansom
Conformational dynamics of a lipid-interacting protein: MD simulations of saposin B.
Biochemistry 2007;46(47):13573-80.
2007: Timothy Carpenter; Syma Khalid; Mark S P Sansom
A multidomain outer membrane protein from Pasteurella multocida: modelling and simulation studies of PmOmpA.
Biochimica et biophysica acta 2007;1768(11):2831-40.
2007: Markus Rapedius; Jennifer J Paynter; Philip W Fowler; Lijun Shang; Mark S P Sansom; Stephen J Tucker; Thomas Baukrowitz
Control of pH and PIP2 gating in heteromeric Kir4.1/Kir5.1 channels by H-Bonding at the helix-bundle crossing.
Channels (Austin, Tex.) 2007;1(5):327-30.
2007: haider shozeb; Andrei I Tarasov; Tim J Craig; Mark S P Sansom; Frances M Ashcroft
Identification of the PIP2-binding site on Kir6.2 by molecular modelling and functional analysis.
The EMBO journal 2007;26(16):3749-59.
2007: Markus Rapedius; Philip W Fowler; Lijun Shang; Mark S P Sansom; Stephen J Tucker; Thomas Baukrowitz
H bonding at the helix-bundle crossing controls gating in Kir potassium channels.
Neuron 2007;55(4):602-14.
2007: John Holyoake; Mark S P Sansom
Conformational change in an MFS protein: MD simulations of LacY.
Structure (London, England : 1993) 2007;15(7):873-84.
2007: Shiva Amiri; Mark S P Sansom; Philip C Biggin
Molecular dynamics studies of AChBP with nicotine and carbamylcholine: the role of water in the binding pocket.
Protein engineering, design & selection : PEDS 2007;20(7):353-9.
2007: E Jayne Wallace; Mark S P Sansom
Carbon nanotube/detergent interactions via coarse-grained molecular dynamics.
Nano letters 2007;7(7):1923-8.
2007: Martin B Ulmschneider; Jakob P Ulmschneider; Mark S P Sansom; Alfredo Di Nola
A generalized born implicit-membrane representation compared to experimental insertion free energies.
Biophysical journal 2007;92(7):2338-49.
2007: haider shozeb; Syma Khalid; Stephen J Tucker; Frances M Ashcroft; Mark S P Sansom
Molecular dynamics simulations of inwardly rectifying (Kir) potassium channels: a comparative study.
Biochemistry 2007;46(12):3643-52.
2007: Philip W Fowler; Kia Balali-Mood; Sundeep Deol; Peter V Coveney; Mark S P Sansom
Monotopic enzymes and lipid bilayers: a comparative study.
Biochemistry 2007;46(11):3108-15.
2007: Anthony Ivetac; Jeff D Campbell; Mark S P Sansom
Dynamics and function in a bacterial ABC transporter: simulation studies of the BtuCDF system and its components.
Biochemistry 2007;46(10):2767-78.
2007: Peter Bond; John Holyoake; Anthony Ivetac; Syma Khalid; Mark S P Sansom
Coarse-grained molecular dynamics simulations of membrane proteins and peptides.
Journal of structural biology 2007;157(3):593-605.
2007: Kaihsu Tai; Marc Baaden; Stuart Murdock; Bing Wu; Muan Hong Ng; Steven Johnston; Richard Boardman; Hans Fangohr; Katherine Cox; Jonathan W Essex; Mark S P Sansom
Three hydrolases and a transferase: comparative analysis of active-site dynamics via the BioSimGrid database.
Journal of molecular graphics & modelling 2007;25(6):896-902.
2007: Samantha L Kaye; Mark S P Sansom; Philip C Biggin
In silico mutation of cysteine residues in the ligand-binding domain of an N-methyl-D-aspartate receptor.
Biochemistry 2007;46(8):2136-45.
2007: Peter Bond; Mark S P Sansom
Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations.
Proceedings of the National Academy of Sciences of the United States of America 2007;104(8):2631-6.
2007: Zara A Sands; Mark S P Sansom
How does a voltage sensor interact with a lipid bilayer? Simulations of a potassium channel domain.
Structure (London, England : 1993) 2007;15(2):235-44.
2007: Peter Bond; Jeremy P Derrick; Mark S P Sansom
Membrane simulations of OpcA: gating in the loops?
Biophysical journal 2007;92(2):L23-5.
2007: Chze Ling Wee; Daniele Bemporad; Zara A Sands; David Gavaghan; Mark S P Sansom
SGTx1, a Kv channel gating-modifier toxin, binds to the interfacial region of lipid bilayers.
Biophysical journal 2007;92(1):L07-9.
2006: Jonathan M Cuthbertson; Peter Bond; Mark S P Sansom
Transmembrane helix-helix interactions: comparative simulations of the glycophorin a dimer.
Biochemistry 2006;45(48):14298-310.
2006: John Holyoake; Victoria Caulfeild; Stephen A Baldwin; Mark S P Sansom
Modeling, docking, and simulation of the major facilitator superfamily.
Biophysical journal 2006;91(10):L84-6.
2006: Philip A Lee; George L Orriss; Grant Buchanan; Nicholas P Greene; Peter Bond; Claire Punginelli; Rachael L Jack; Mark S P Sansom; Ben C Berks; Tracy Palmer
Cysteine-scanning mutagenesis and disulfide mapping studies of the conserved domain of the twin-arginine translocase TatB component.
The Journal of biological chemistry 2006;281(45):34072-85.
2006: Syma Khalid; Mark S P Sansom
Molecular dynamics simulations of a bacterial autotransporter: NalP from Neisseria meningitidis.
Molecular membrane biology 2006;23(6):499-508.
2006: haider shozeb; Benjamin Andrew Hall; Mark S P Sansom
Simulations of a protein translocation pore: SecY.
Biochemistry 2006;45(43):13018-24.
2006: Daniele Bemporad; Zara A Sands; Chze Ling Wee; Alessandro Grottesi; Mark S P Sansom
Vstx1, a modifier of Kv channel gating, localizes to the interfacial region of lipid bilayers.
Biochemistry 2006;45(39):11844-55.
2006: Emi Psachoulia; Peter Bond; Mark S P Sansom
MD simulations of Mistic: conformational stability in detergent micelles and water.
Biochemistry 2006;45(30):9053-8.
2006: Loredana Vaccaro; Vassilis Koronakis; Mark S P Sansom
Flexibility in a drug transport accessory protein: molecular dynamics simulations of MexA.
Biophysical journal 2006;91(2):558-64.
2006: Michael Bennett; Robert D'Rozario; Mark S P Sansom; Philip L Yeagle
Asymmetric stability among the transmembrane helices of lactose permease.
Biochemistry 2006;45(26):8088-95.
2006: Peter Bond; José D Faraldo-Gómez; Sundeep S Deol; Mark S P Sansom
Membrane protein dynamics and detergent interactions within a crystal: a simulation study of OmpA.
Proceedings of the National Academy of Sciences of the United States of America 2006;103(25):9518-23.
2006: Oliver Beckstein; Mark S P Sansom
A hydrophobic gate in an ion channel: the closed state of the nicotinic acetylcholine receptor.
Physical biology 2006;3(2):147-59.
2006: Markus Rapedius; haider shozeb; Katharine F Browne; Lijun Shang; Mark S P Sansom; Thomas Baukrowitz; Stephen J Tucker
Structural and functional analysis of the putative pH sensor in the Kir1.1 (ROMK) potassium channel.
EMBO reports 2006;7(6):611-6.
2006: Samantha L Kaye; Mark S P Sansom; Philip C Biggin
Molecular dynamics simulations of the ligand-binding domain of an N-methyl-D-aspartate receptor.
The Journal of biological chemistry 2006;281(18):12736-42.
2006: Syma Khalid; Peter Bond; Sundeep S Deol; Mark S P Sansom
Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosa.
Proteins 2006;63(1):6-15.
2006: Jennifer M Johnston; Gabriel A Cook; John M Tomich; Mark S P Sansom
Conformation and environment of channel-forming peptides: a simulation study.
Biophysical journal 2006;90(6):1855-64.
2006: Peter Bond; Mark S P Sansom
Insertion and assembly of membrane proteins via simulation.
Journal of the American Chemical Society 2006;128(8):2697-704.
2006: Martin B Ulmschneider; Mark S P Sansom; Alfredo Di Nola
Evaluating tilt angles of membrane-associated helices: comparison of computational and NMR techniques.
Biophysical journal 2006;90(5):1650-60.
2006: Zara A Sands; Alessandro Grottesi; Mark S P Sansom
The intrinsic flexibility of the Kv voltage sensor and its implications for channel gating.
Biophysical journal 2006;90(5):1598-606.
2006: Sundeep S Deol; Carmen Domene; Peter Bond; Mark S P Sansom
Anionic phospholipid interactions with the potassium channel KcsA: simulation studies.
Biophysical journal 2006;90(3):822-30.
2006: Yalini Arinaminpathy; Mark S P Sansom; Philip C Biggin
Binding site flexibility: molecular simulation of partial and full agonists within a glutamate receptor.
Molecular pharmacology 2006;69(1):11-8.
2005: Michael V Mikhailov; Jeff D Campbell; Heidi de Wet; Kenju Shimomura; Brittany Zadek; Richard F Collins; Mark S P Sansom; Robert C Ford; Frances M Ashcroft
3-D structural and functional characterization of the purified KATP channel complex Kir6.2-SUR1.
The EMBO journal 2005;24(23):4166-75.
2005: Martin B Ulmschneider; D Peter Tieleman; Mark S P Sansom
The role of extra-membranous inter-helical loops in helix-helix interactions.
Protein engineering, design & selection : PEDS 2005;18(12):563-70.
2005: Andrew Pang; Yalini Arinaminpathy; Mark S P Sansom; Philip C Biggin
Comparative molecular dynamics--similar folds and similar motions?
Proteins 2005;61(4):809-22.
2005: Alessandro Grottesi; Carmen Domene; Benjamin Andrew Hall; Mark S P Sansom
Conformational dynamics of M2 helices in KirBac channels: helix flexibility in relation to gating via molecular dynamics simulations.
Biochemistry 2005;44(44):14586-94.
2005: Mark S P Sansom; Peter Bond; Sundeep S Deol; Alessandro Grottesi; haider shozeb; Zara A Sands
Molecular simulations and lipid-protein interactions: potassium channels and other membrane proteins.
Biochemical Society transactions 2005;33(Pt 5):916-20.
2005: Peter Bond; Jonathan M Cuthbertson; Mark S P Sansom
Simulation studies of the interactions between membrane proteins and detergents.
Biochemical Society transactions 2005;33(Pt 5):910-2.
2005: Richard J Law; Charlotte E Capener; Marc Baaden; Peter Bond; Jeff Campbell; George Patargias; Yalini Arinaminpathy; Mark S P Sansom
Membrane protein structure quality in molecular dynamics simulation.
Journal of molecular graphics & modelling 2005;24(2):157-65.
2005: Alessandro Grottesi; Zara A Sands; Mark S P Sansom
Potassium channels: complete and undistorted.
Current biology : CB 2005;15(18):R771-4.
2005: Christopher J Woods; Muan Hong Ng; Steven Johnston; Stuart E Murdock; Bing Wu; Kaihsu Tai; Hans Fangohr; Paul Jeffreys; Simon Cox; Jeremy G Frey; Mark S P Sansom; Jonathan W Essex
Grid computing and biomolecular simulation.
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 2005;363(1833):2017-35.
2005: Jeff D Campbell; Mark S P Sansom
Nucleotide binding to the homodimeric MJ0796 protein: a computational study of a prokaryotic ABC transporter NBD dimer.
FEBS letters 2005;579(19):4193-9.
2005: Jonathan M Cuthbertson; Declan Doyle; Mark S P Sansom
Transmembrane helix prediction: a comparative evaluation and analysis.
Protein engineering, design & selection : PEDS 2005;18(6):295-308.
2005: haider shozeb; Jennifer F Antcliff; Peter Proks; Mark S P Sansom; Frances M Ashcroft
Focus on Kir6.2: a key component of the ATP-sensitive potassium channel.
Journal of molecular and cellular cardiology 2005;38(6):927-36.
2005: Shiva Amiri; Kaihsu Tai; Oliver Beckstein; Philip C Biggin; Mark S P Sansom
The alpha7 nicotinic acetylcholine receptor: molecular modelling, electrostatics, and energetics.
Molecular membrane biology 2005;22(3):151-62.
2005: Peter Proks; Christophe Girard; haider shozeb; Anna L Gloyn; Andrew T Hattersley; Mark S P Sansom; Frances M Ashcroft
A gating mutation at the internal mouth of the Kir6.2 pore is associated with DEND syndrome.
EMBO reports 2005;6(5):470-5.
2005: haider shozeb; Alessandro Grottesi; Benjamin Andrew Hall; Frances M Ashcroft; Mark S P Sansom
Conformational dynamics of the ligand-binding domain of inward rectifier K channels as revealed by molecular dynamics simulations: toward an understanding of Kir channel gating.
Biophysical journal 2005;88(5):3310-20.
2005: Martin B Ulmschneider; Mark S P Sansom; Alfredo Di Nola
Properties of integral membrane protein structures: derivation of an implicit membrane potential.
Proteins 2005;59(2):252-65.
2005: Andrew Hung; Kaihsu Tai; Mark S P Sansom
Molecular dynamics simulation of the M2 helices within the nicotinic acetylcholine receptor transmembrane domain: structure and collective motions.
Biophysical journal 2005;88(5):3321-33.
2005: Alessandro Grottesi; Carmen Domene; haider shozeb; Mark S P Sansom
Molecular dynamics simulation approaches to K channels: conformational flexibility and physiological function.
IEEE transactions on nanobioscience 2005;4(1):112-20.
2005: Zara A Sands; Alessandro Grottesi; Mark S P Sansom
Voltage-gated ion channels.
Current biology : CB 2005;15(2):R44-7.
2005: Jennifer F Antcliff; haider shozeb; Peter Proks; Mark S P Sansom; Frances M Ashcroft
Functional analysis of a structural model of the ATP-binding site of the KATP channel Kir6.2 subunit.
The EMBO journal 2005;24(2):229-39.
2005: George Patargias; Peter Bond; Sundeep S Deol; Mark S P Sansom
Molecular dynamics simulations of GlpF in a micelle vs in a bilayer: conformational dynamics of a membrane protein as a function of environment.
The journal of physical chemistry. B 2005;109(1):575-82.
2005: Steven Buckingham; Luanda Pym; Andrew Ken Jones; Laurence Brown; Mark S P Sansom; David B Sattelle; Philip C Biggin
A7DB: a relational database for mutational, physiological and pharmacological data related to the alpha7 nicotinic acetylcholine receptor.
BMC neuroscience 2005;6():2.
2004: Peter Bond; Jonathan M Cuthbertson; Sundeep S Deol; Mark S P Sansom
MD simulations of spontaneous membrane protein/detergent micelle formation.
Journal of the American Chemical Society 2004;126(49):15948-9.
2004: Jeff D Campbell; Peter Proks; Jonathan D Lippiat; Mark S P Sansom; Frances M Ashcroft
Identification of a functionally important negatively charged residue within the second catalytic site of the SUR1 nucleotide-binding domains.
Diabetes 2004;53 Suppl 3():S123-7.
2004: Sundeep S Deol; Peter Bond; Carmen Domene; Mark S P Sansom
Lipid-protein interactions of integral membrane proteins: a comparative simulation study.
Biophysical journal 2004;87(6):3737-49.
2004: Jeff D Campbell; Sundeep S Deol; Frances M Ashcroft; Ian D Kerr; Mark S P Sansom
Nucleotide-dependent conformational changes in HisP: molecular dynamics simulations of an ABC transporter nucleotide-binding domain.
Biophysical journal 2004;87(6):3703-15.
2004: José D Faraldo-Gómez; Lucy R Forrest; Marc Baaden; Peter Bond; Carmen Domene; George Patargias; Jonathan M Cuthbertson; Mark S P Sansom
Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations.
Proteins 2004;57(4):783-91.
2004: Kaihsu Tai; Stuart Murdock; Bing Wu; Muan Hong Ng; Steven Johnston; Hans Fangohr; Simon J Cox; Paul Jeffreys; Jonathan W Essex; Mark S P Sansom
BioSimGrid: towards a worldwide repository for biomolecular simulations.
Organic & biomolecular chemistry 2004;2(22):3219-21.
2004: Oliver Beckstein; Kaihsu Tai; Mark S P Sansom
Not ions alone: barriers to ion permeation in nanopores and channels.
Journal of the American Chemical Society 2004;126(45):14694-5.
2004: Marc Baaden; Mark S P Sansom
OmpT: molecular dynamics simulations of an outer membrane enzyme.
Biophysical journal 2004;87(5):2942-53.
2004: Richard J Law; Mark S P Sansom
Homology modelling and molecular dynamics simulations: comparative studies of human aquaporin-1.
European biophysics journal : EBJ 2004;33(6):477-89.
2004: Carmen Domene; Alessandro Grottesi; Mark S P Sansom
Filter flexibility and distortion in a bacterial inward rectifier K+ channel: simulation studies of KirBac1.1.
Biophysical journal 2004;87(1):256-67.
2004: Oliver Beckstein; Mark S P Sansom
The influence of geometry, surface character, and flexibility on the permeation of ions and water through biological pores.
Physical biology 2004;1(1-2):42-52.
2004: Jianwei Zhao; Jason J Davis; Mark S P Sansom; Andrew Hung
Exploring the electronic and mechanical properties of protein using conducting atomic force microscopy.
Journal of the American Chemical Society 2004;126(17):5601-9.
2004: Peter Bond; Mark S P Sansom
The simulation approach to bacterial outer membrane proteins.
Molecular membrane biology 2004;21(3):151-61.
2004: John Holyoake; Carmen Domene; Joanne N Bright; Mark S P Sansom
KcsA closed and open: modelling and simulation studies.
European biophysics journal : EBJ 2004;33(3):238-46.
2003: Carmen Domene; Peter Bond; Sundeep S Deol; Mark S P Sansom
Lipid/protein interactions and the membrane/water interfacial region.
Journal of the American Chemical Society 2003;125(49):14966-7.
2003: Daniella R Stenham; Jeff D Campbell; Mark S P Sansom; Christopher F Higgins; Ian D Kerr; Kenneth J Linton
An atomic detail model for the human ATP binding cassette transporter P-glycoprotein derived from disulfide cross-linking and homology modeling.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2003;17(15):2287-9.
2003: Oliver Beckstein; Philip C Biggin; Peter Bond; Joanne N Bright; Carmen Domene; Alessandro Grottesi; John Holyoake; Mark S P Sansom
Ion channel gating: insights via molecular simulations.
FEBS letters 2003;555(1):85-90.
2003: Martin D Smith; Timothy D W Claridge; Mark S P Sansom; George W J Fleet
Bend ribbon-forming tetrahydrofuran amino acids.
Organic & biomolecular chemistry 2003;1(21):3647-55.
2003: Jeff D Campbell; Mark S P Sansom; Frances M Ashcroft
Potassium channel regulation.
EMBO reports 2003;4(11):1038-42.
2003: Carmen Domene; Mark S P Sansom
Potassium channel, ions, and water: simulation studies based on the high resolution X-ray structure of KcsA.
Biophysical journal 2003;85(5):2787-800.
2003: Yalini Arinaminpathy; Philip C Biggin; Indira H Shrivastava; Mark S P Sansom
A prokaryotic glutamate receptor: homology modelling and molecular dynamics simulations of GluR0.
FEBS letters 2003;553(3):321-7.
2003: Carmen Domene; haider shozeb; Mark S P Sansom
Ion channel structures: a review of recent progress.
Current opinion in drug discovery & development 2003;6(5):611-9.
2003: José D Faraldo-Gómez; Graham R Smith; Mark S P Sansom
Molecular dynamics simulations of the bacterial outer membrane protein FhuA: a comparative study of the ferrichrome-free and bound states.
Biophysical journal 2003;85(3):1406-20.
2003: Andrew Pang; Yalini Arinaminpathy; Mark S P Sansom; Philip C Biggin
Interdomain dynamics and ligand binding: molecular dynamics simulations of glutamine binding protein.
FEBS letters 2003;550(1-3):168-74.
2003: Marc Baaden; Christoph Meier; Mark S P Sansom
A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA.
Journal of molecular biology 2003;331(1):177-89.
2003: Peter Bond; Mark S P Sansom
Membrane protein dynamics versus environment: simulations of OmpA in a micelle and in a bilayer.
Journal of molecular biology 2003;329(5):1035-53.
2003: Stefan Trapp; haider shozeb; Phillippa Jones; Mark S P Sansom; Frances M Ashcroft
Identification of residues contributing to the ATP binding site of Kir6.2.
The EMBO journal 2003;22(12):2903-12.
2003: Oliver Beckstein; Mark S P Sansom
Liquid-vapor oscillations of water in hydrophobic nanopores.
Proceedings of the National Academy of Sciences of the United States of America 2003;100(12):7063-8.
2003: Jeff D Campbell; Philip C Biggin; Marc Baaden; Mark S P Sansom
Extending the structure of an ABC transporter to atomic resolution: modeling and simulation studies of MsbA.
Biochemistry 2003;42(13):3666-73.
2003: Charlotte E Capener; Peter Proks; Frances M Ashcroft; Mark S P Sansom
Filter flexibility in a mammalian K channel: models and simulations of Kir6.2 mutants.
Biophysical journal 2003;84(4):2345-56.
2003: Philip C Biggin; Mark S P Sansom
Mechanosensitive channels: stress relief.
Current biology : CB 2003;13(5):R183-5.
2003: D Peter Tieleman; Vitali Borisenko; Mark S P Sansom; andrew woolley
Understanding pH-dependent selectivity of alamethicin K18 channels by computer simulation.
Biophysical journal 2003;84(3):1464-9.
2003: José D Faraldo-Gómez; Mark S P Sansom
Acquisition of siderophores in gram-negative bacteria.
Nature reviews. Molecular cell biology 2003;4(2):105-16.
2003: Alessandro Grottesi; Mark S P Sansom
Molecular dynamics simulations of a K+ channel blocker: Tc1 toxin from Tityus cambridgei.
FEBS letters 2003;535(1-3):29-33.
2003: Richard J Law; D Peter Tieleman; Mark S P Sansom
Pores formed by the nicotinic receptor m2delta Peptide: a molecular dynamics simulation study.
Biophysical journal 2003;84(1):14-27.
2002: Frank S Cordes; Joanne N Bright; Mark S P Sansom
Proline-induced distortions of transmembrane helices.
Journal of molecular biology 2002;323(5):951-60.
2002: D Peter Tieleman; Berk Hess; Mark S P Sansom
Analysis and evaluation of channel models: simulations of alamethicin.
Biophysical journal 2002;83(5):2393-407.
2002: Mark S P Sansom; Indira H Shrivastava; Joanne N Bright; John Tate; Charlotte E Capener; Philip C Biggin
Potassium channels: structures, models, simulations.
Biochimica et biophysica acta 2002;1565(2):294-307.
2002: Charlotte E Capener; Hyun Ji Kim; Yalini Arinaminpathy; Mark S P Sansom
Ion channels: structural bioinformatics and modelling.
Human molecular genetics 2002;11(20):2425-33.
2002: Philip C Biggin; Mark S P Sansom
Open-state models of a potassium channel.
Biophysical journal 2002;83(4):1867-76.
2002: Joanne N Bright; Indira H Shrivastava; Frank S Cordes; Mark S P Sansom
Conformational dynamics of helix S6 from Shaker potassium channel: simulation studies.
Biopolymers 2002;64(6):303-13.
2002: Mark S P Sansom; Charlotte E Capener
Ion channels: open at last.
Current biology : CB 2002;12(16):R566-8.
2002: Peter Bond; José D Faraldo-Gómez; Mark S P Sansom
OmpA: a pore or not a pore? Simulation and modeling studies.
Biophysical journal 2002;83(2):763-75.
2002: Indira H Shrivastava; D Peter Tieleman; Philip C Biggin; Mark S P Sansom
K(+) versus Na(+) ions in a K channel selectivity filter: a simulation study.
Biophysical journal 2002;83(2):633-45.
2002: Frank S Cordes; A D Tustian; Mark S P Sansom; Anthony Watts; Wolfgang B Fischer
Bundles consisting of extended transmembrane segments of Vpu from HIV-1: computer simulations and conductance measurements.
Biochemistry 2002;41(23):7359-65.
2002: José D Faraldo-Gómez; Graham R Smith; Mark S P Sansom
Setting up and optimization of membrane protein simulations.
European biophysics journal : EBJ 2002;31(3):217-27.
2002: Indira H Shrivastava; Mark S P Sansom
Molecular dynamics simulations and KcsA channel gating.
European biophysics journal : EBJ 2002;31(3):207-16.
2002: Graham R Smith; Mark S P Sansom
Free energy of a potassium ion in a model of the channel formed by an amphipathic leucine-serine peptide.
European biophysics journal : EBJ 2002;31(3):198-206.
2002: Nigel P Mongan; Andrew Ken Jones; Graham R Smith; Mark S P Sansom; David B Sattelle
Novel alpha7-like nicotinic acetylcholine receptor subunits in the nematode Caenorhabditis elegans.
Protein science : a publication of the Protein Society 2002;11(5):1162-71.
2002: Richard J Law; Mark S P Sansom
Water transporters: how so fast yet so selective?
Current biology : CB 2002;12(7):R250-2.
2002: Wolfgang B Fischer; Mark S P Sansom
Viral ion channels: structure and function.
Biochimica et biophysica acta 2002;1561(1):27-45.
2002: Yalini Arinaminpathy; Mark S P Sansom; Philip C Biggin
Molecular dynamics simulations of the ligand-binding domain of the ionotropic glutamate receptor GluR2.
Biophysical journal 2002;82(2):676-83.
2002: Mark S P Sansom; Indira H Shrivastava
Ion channels: frozen motion.
Current biology : CB 2002;12(2):R65-7.
2002: Mark S P Sansom; Peter Bond; Oliver Beckstein; Philip C Biggin; José D Faraldo-Gómez; Richard J Law; George Patargias; D Peter Tieleman
Water in ion channels and pores--simulation studies.
Novartis Foundation symposium 2002;245():66-78; discussion 79-83, 165-8.
2002: Mark S P Sansom
Introduction: stretching the envelope in structure-function studies of ion channels.
Novartis Foundation symposium 2002;245():1-4; discussion 165-8.
2001: Wolfgang B Fischer; MC Pitkeathly; Mark S P Sansom
Amantadine blocks channel activity of the transmembrane segment of the NB protein from influenza B.
European biophysics journal : EBJ 2001;30(6):416-20.
2001: Kishani M Ranatunga; Richard J Law; Graham R Smith; Mark S P Sansom
Electrostatics studies and molecular dynamics simulations of a homology model of the Shaker K+ channel pore.
European biophysics journal : EBJ 2001;30(4):295-303.
2001: D Peter Tieleman; Indira H Shrivastava; M R Ulmschneider; Mark S P Sansom
Proline-induced hinges in transmembrane helices: possible roles in ion channel gating.
Proteins 2001;44(2):63-72.
2001: Frank S Cordes; Andreas Kukol; LR Forrest; Isaiah T Arkin; Mark S P Sansom; Wolfgang B Fischer
The structure of the HIV-1 Vpu ion channel: modelling and simulation studies.
Biochimica et biophysica acta 2001;1512(2):291-8.
2001: Martin B Ulmschneider; Mark S P Sansom
Amino acid distributions in integral membrane protein structures.
Biochimica et biophysica acta 2001;1512(1):1-14.
2001: Philip C Biggin; Mark S P Sansom
Channel gating: twist to open.
Current biology : CB 2001;11(9):R364-6.
2001: Kishani M Ranatunga; Indira H Shrivastava; Graham R Smith; Mark S P Sansom
Side-chain ionization states in a potassium channel.
Biophysical journal 2001;80(3):1210-9.
2001: Philip C Biggin; Graham R Smith; Indira H Shrivastava; S Choe; Mark S P Sansom
Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations.
Biochimica et biophysica acta 2001;1510(1-2):1-9.
2001: Mark S P Sansom; Richard J Law
Membrane proteins: Aquaporins--channels without ions.
Current biology : CB 2001;11(2):R71-3.
2001: D Peter Tieleman; Herman J C Berendsen; Mark S P Sansom
Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces.
Biophysical journal 2001;80(1):331-46.
2000: Wolfgang B Fischer; MC Pitkeathly; B A Wallace; LR Forrest; GR Smith; Mark S P Sansom
Transmembrane peptide NB of influenza B: a simulation, structure, and conductance study.
Biochemistry 2000;39(41):12708-16.
2000: Mark S P Sansom; Indira H Shrivastava; Kishani M Ranatunga; Graham R Smith
Simulations of ion channels--watching ions and water move.
Trends in biochemical sciences 2000;25(8):368-74.
2000: Charlotte E Capener; Indira H Shrivastava; Kishani M Ranatunga; LR Forrest; Graham R Smith; Mark S P Sansom
Homology modeling and molecular dynamics simulation studies of an inward rectifier potassium channel.
Biophysical journal 2000;78(6):2929-42.
2000: Wolfgang B Fischer; LR Forrest; GR Smith; Mark S P Sansom
Transmembrane domains of viral ion channel proteins: a molecular dynamics simulation study.
Biopolymers 2000;53(7):529-38.
2000: LR Forrest; Mark S P Sansom
Membrane simulations: bigger and better?
Current opinion in structural biology 2000;10(2):174-81.
2000: Richard J Law; LR Forrest; Kishani M Ranatunga; P La Rocca; D Peter Tieleman; Mark S P Sansom
Structure and dynamics of the pore-lining helix of the nicotinic receptor: MD simulations in water, lipid bilayers, and transbilayer bundles.
Proteins 2000;39(1):47-55.
2000: Mark S P Sansom
Potassium channels: watching a voltage-sensor tilt and twist.
Current biology : CB 2000;10(5):R206-9.
2000: Vitali Borisenko; Mark S P Sansom; andrew woolley
Protonation of lysine residues inverts cation/anion selectivity in a model channel.
Biophysical journal 2000;78(3):1335-48.
2000: Indira H Shrivastava; Mark S P Sansom
Simulations of ion permeation through a potassium channel: molecular dynamics of KcsA in a phospholipid bilayer.
Biophysical journal 2000;78(2):557-70.
2000: Mark S P Sansom; L Davison
Modeling transmembrane helix bundles by restrained MD simulations.
Methods in molecular biology (Clifton, N.J.) 2000;143():325-47.
2000: CJ Adcock; Graham R Smith; Mark S P Sansom
The nicotinic acetylcholine receptor: from molecular model to single-channel conductance.
European biophysics journal : EBJ 2000;29(1):29-37.
2000: H S Son; Mark S P Sansom
Simulation studies on bacteriorhodopsin alpha-helices.
European biophysics journal : EBJ 2000;28(8):674-82.
2000: Indira H Shrivastava; Charlotte E Capener; LR Forrest; Mark S P Sansom
Structure and dynamics of K channel pore-lining helices: a comparative simulation study.
Biophysical journal 2000;78(1):79-92.
2000: LR Forrest; Andreas Kukol; Isaiah T Arkin; D Peter Tieleman; Mark S P Sansom
Exploring models of the influenza A M2 channel: MD simulations in a phospholipid bilayer.
Biophysical journal 2000;78(1):55-69.
1999: P La Rocca; Philip C Biggin; D Peter Tieleman; Mark S P Sansom
Simulation studies of the interaction of antimicrobial peptides and lipid bilayers.
Biochimica et biophysica acta 1999;1462(1-2):185-200.
1999: Mark S P Sansom
Putting the parts together.
Current biology : CB 1999;9(19):R738-41.
1999: G R Smith; Mark S P Sansom
Effective diffusion coefficients of K+ and Cl- ions in ion channel models.
Biophysical chemistry 1999;79(2):129-51.
1999: AV Starostin; R Butan; Vitali Borisenko; DA James; H Wenschuh; Mark S P Sansom; andrew woolley
An anion-selective analogue of the channel-forming peptide alamethicin.
Biochemistry 1999;38(19):6144-50.
1999: Mark S P Sansom
Membrane proteins: A tale of barrels and corks.
Current biology : CB 1999;9(7):R254-7.
1999: LR Forrest; D Peter Tieleman; Mark S P Sansom
Defining the transmembrane helix of M2 protein from influenza A by molecular dynamics simulations in a lipid bilayer.
Biophysical journal 1999;76(4):1886-96.
1999: Mark S P Sansom
Ion channels: structure of a molecular brake.
Current biology : CB 1999;9(5):R173-5.
1999: P La Rocca; Yechiel Shai; Mark S P Sansom
Peptide-bilayer interactions: simulations of dermaseptin B, an antimicrobial peptide.
Biophysical chemistry 1999;76(2):145-59.
1999: Mark S P Sansom; D Peter Tieleman; Herman J C Berendsen
The mechanism of channel formation by alamethicin as viewed by molecular dynamics simulations.
Novartis Foundation symposium 1999;225():128-41; discussion 141-5.
1999: andrew woolley; AV Starostin; R Butan; DA James; H Wenschuh; Mark S P Sansom
Engineering charge selectivity in alamethicin channels.
Novartis Foundation symposium 1999;225():62-9; discussion 69-73.
1999: H S Son; Mark S P Sansom
Simulation of the packing of idealized transmembrane alpha-helix bundles.
European biophysics journal : EBJ 1999;28(6):489-98.
1998: Graham R Smith; Mark S P Sansom
Dynamic properties of Na+ ions in models of ion channels: a molecular dynamics study.
Biophysical journal 1998;75(6):2767-82.
1998: Ehud Gazit; P La Rocca; Mark S P Sansom; Yechiel Shai
The structure and organization within the membrane of the helices composing the pore-forming domain of Bacillus thuringiensis delta-endotoxin are consistent with an "umbrella-like" structure of the pore.
Proceedings of the National Academy of Sciences of the United States of America 1998;95(21):12289-94.
1998: CJ Adcock; Graham R Smith; Mark S P Sansom
Electrostatics and the ion selectivity of ligand-gated channels.
Biophysical journal 1998;75(3):1211-22.
1998: LR Forrest; Mark S P Sansom
Simulations of the M2 channel for influenza A virus.
Biochemical Society transactions 1998;26(3):S303.
1998: P La Rocca; Mark S P Sansom
Peptide-bilayer interactions:- simulation studies.
Biochemical Society transactions 1998;26(3):S302.
1998: Kishani M Ranatunga; Ian D Kerr; C A Adcock; Graham R Smith; Mark S P Sansom
Molecular dynamics of ion/channel interactions.
Biochemical Society transactions 1998;26(3):S301.
1998: CJ Adcock; Graham R Smith; Mark S P Sansom
Electrostatics of ligand-gated ion channels.
Biochemical Society transactions 1998;26(3):S300.
1998: Graham R Smith; Mark S P Sansom
Dynamic properties of ions in models of ion channels studied by molecular dynamics simulation.
Biochemical Society transactions 1998;26(3):S195.
1998: Mark S P Sansom; Ian D Kerr; R Law; L Davison; D Peter Tieleman
Modelling the packing of transmembrane helices: application to aquaporin-1.
Biochemical Society transactions 1998;26(3):509-15.
1998: Mark S P Sansom; D Peter Tieleman; LR Forrest; Herman J C Berendsen
Molecular dynamics simulations of membranes with embedded proteins and peptides: porin, alamethicin and influenza virus M2.
Biochemical Society transactions 1998;26(3):438-43.
1998: Mark S P Sansom
Ion channels: a first view of K+ channels in atomic glory.
Current biology : CB 1998;8(13):R450-2.
1998: Kishani M Ranatunga; Ian D Kerr; CJ Adcock; Graham R Smith; Mark S P Sansom
Protein-water-ion interactions in a model of the pore domain of a potassium channel: a simulation study.
Biochimica et biophysica acta 1998;1370(1):1-7.
1998: LR Forrest; W F DeGrado; G R Dieckmann; Mark S P Sansom
Two models of the influenza A M2 channel domain: verification by comparison.
Folding & design 1998;3(6):443-8.
1998: Mark S P Sansom; CJ Adcock; Graham R Smith
Modelling and simulation of ion channels: applications to the nicotinic acetylcholine receptor.
Journal of structural biology 1998;121(2):246-62.
1997: Jason Breed; Ian D Kerr; Gérard Molle; Hervé Duclohier; Mark S P Sansom
Ion channel stability and hydrogen bonding. Molecular modelling of channels formed by synthetic alamethicin analogues.
Biochimica et biophysica acta 1997;1330(2):103-9.
1997: Mark S P Sansom; G R Smith; OS Smart; S O Smith
Channels formed by the transmembrane helix of phospholamban: a simulation study.
Biophysical chemistry 1997;69(2-3):269-81.
1997: Dominic Jaikaran; Philip C Biggin; H Wenschuh; Mark S P Sansom; andrew woolley
Structure-function relationships in helix-bundle channels probed via total chemical synthesis of alamethicin dimers: effects of a Gln7 to Asn7 mutation.
Biochemistry 1997;36(45):13873-81.
1997: Mark S P Sansom; Graham R Smith; CJ Adcock; Philip C Biggin
The dielectric properties of water within model transbilayer pores.
Biophysical journal 1997;73(5):2404-15.
1997: Graham R Smith; Mark S P Sansom
Molecular dynamics study of water and Na+ ions in models of the pore region of the nicotinic acetylcholine receptor.
Biophysical journal 1997;73(3):1364-81.
1997: CJ Adcock; Graham R Smith; Mark S P Sansom
Molecular modelling and electrostatic properties of the pore domain of ligand-gated receptors.
Biochemical Society transactions 1997;25(3):549S.
1997: Graham R Smith; Mark S P Sansom
Molecular dynamics study of water and Na+ ions in models of the pore region of the nicotinic acetylcholine receptor.
Biochemical Society transactions 1997;25(3):548S.
1997: andrew woolley; Philip C Biggin; A Schultz; L Lien; Dominic Jaikaran; Jason Breed; Karin A Crowhurst; Mark S P Sansom
Intrinsic rectification of ion flux in alamethicin channels: studies with an alamethicin dimer.
Biophysical journal 1997;73(2):770-8.
1997: Ian D Kerr; Mark S P Sansom
The pore-lining region of shaker voltage-gated potassium channels: comparison of beta-barrel and alpha-helix bundle models.
Biophysical journal 1997;73(2):581-602.
1997: Mark S P Sansom; I D Kerr; GR Smith; H S Son
The influenza A virus M2 channel: a molecular modeling and simulation study.
Virology 1997;233(1):163-73.
1997: Jason Breed; Philip C Biggin; Ian D Kerr; OS Smart; Mark S P Sansom
Alamethicin channels - modelling via restrained molecular dynamics simulations.
Biochimica et biophysica acta 1997;1325(2):235-49.
1997: A L Grice; I D Kerr; Mark S P Sansom
Ion channels formed by HIV-1 Vpu: a modelling and simulation study.
FEBS letters 1997;405(3):299-304.
1997: OS Smart; Jason Breed; G R Smith; Mark S P Sansom
A novel method for structure-based prediction of ion channel conductance properties.
Biophysical journal 1997;72(3):1109-26.
1997: Philip C Biggin; Jason Breed; H S Son; Mark S P Sansom
Simulation studies of alamethicin-bilayer interactions.
Biophysical journal 1997;72(2 Pt 1):627-36.