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Peter Tieleman

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TOP 3
Norberto Castillo; Luca Monticelli; Jonathan Barnoud; D Peter Tieleman
Free energy of WALP23 dimer association in DMPC, DPPC, and DOPC bilayers.
Lydie Vamparys; Stefano Vanni; Romain Gautier; D Peter Tieleman; Bruno Antonny; W F Drew Bennett; Catherine Etchebest; Patrick F J Fuchs
Conical lipids in flat bilayers induce packing defects similar to that induced by positive curvature.
Svetlana Baoukina; D Peter Tieleman
Simulations of lipid monolayers.

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All Publications

2013: Norberto Castillo; Luca Monticelli; Jonathan Barnoud; D Peter Tieleman
Free energy of WALP23 dimer association in DMPC, DPPC, and DOPC bilayers.
Chemistry and physics of lipids 2013;169():95-105.
2013: Lydie Vamparys; Stefano Vanni; Romain Gautier; D Peter Tieleman; Bruno Antonny; W F Drew Bennett; Catherine Etchebest; Patrick F J Fuchs
Conical lipids in flat bilayers induce packing defects similar to that induced by positive curvature.
Biophysical journal 2013;104(3):585-93.
2013: Svetlana Baoukina; D Peter Tieleman
Simulations of lipid monolayers.
Methods in molecular biology (Clifton, N.J.) 2013;924():431-44.
2013: Luca Monticelli; D Peter Tieleman
Force fields for classical molecular dynamics.
Methods in molecular biology (Clifton, N.J.) 2013;924():197-213.
2012: Svetlana Baoukina; Eduardo Mendez-Villuendas; D Peter Tieleman
Molecular view of phase coexistence in lipid monolayers.
Journal of the American Chemical Society 2012;134(42):17543-53.
2012: Valentina Corradi; Gurpreet Singh; D Peter Tieleman
The human transporter associated with antigen processing: molecular models to describe peptide binding competent states.
The Journal of biological chemistry 2012;287(33):28099-111.
2012: Svetlana Baoukina; Siewert J Marrink; D Peter Tieleman
Molecular structure of membrane tethers.
Biophysical journal 2012;102(8):1866-71.
2012: W F Drew Bennett; D Peter Tieleman
Molecular simulation of rapid translocation of cholesterol, diacylglycerol, and ceramide in model raft and nonraft membranes.
Journal of lipid research 2012;53(3):421-9.
2011: Justin L MacCallum; D Peter Tieleman
Hydrophobicity scales: a thermodynamic looking glass into lipid-protein interactions.
Trends in biochemical sciences 2011;36(12):653-62.
2011: Jeffrey Robert McArthur; D McMaster; G Singh; D Peter Tieleman; R Winkfein; Robert J French
Interactions of key charged residues contributing to selective block of neuronal sodium channels by μ-conotoxin KIIIA.
Molecular pharmacology 2011;80(4):573-84.
2011: Jeffrey Robert McArthur; D McMaster; M L O'Mara; V Ostroumov; G Singh; D Peter Tieleman; R J French
Orientation of μ-conotoxin PIIIA in a sodium channel vestibule, based on voltage dependence of its binding.
Molecular pharmacology 2011;80(2):219-27.
2011: Justin L MacCallum; W F Drew Bennett; D Peter Tieleman
Transfer of arginine into lipid bilayers is nonadditive.
Biophysical journal 2011;101(1):110-7.
2011: Nicolas Sapay; D Peter Tieleman
Combination of the CHARMM27 force field with united-atom lipid force fields.
Journal of computational chemistry 2011;32(7):1400-10.
2011: Svetlana Baoukina; D Peter Tieleman
Lung surfactant protein SP-B promotes formation of bilayer reservoirs from monolayer and lipid transfer between the interface and subphase.
Biophysical journal 2011;100(7):1678-87.
2011: Eugenia Polverini; Eoin P Coll; D Peter Tieleman; George Harauz
Conformational choreography of a molecular switch region in myelin basic protein--molecular dynamics shows induced folding and secondary structure type conversion upon threonyl phosphorylation in both aqueous and membrane-associated environments.
Biochimica et biophysica acta 2011;1808(3):674-83.
2010: Svetlana Baoukina; D Peter Tieleman
Direct simulation of protein-mediated vesicle fusion: lung surfactant protein B.
Biophysical journal 2010;99(7):2134-42.
2010: Luca Monticelli; D Peter Tieleman; Patrick F J Fuchs
Interpretation of 2H-NMR experiments on the orientation of the transmembrane helix WALP23 by computer simulations.
Biophysical journal 2010;99(5):1455-64.
2010: Nicolas Sapay; W F Drew Bennett; D Peter Tieleman
Molecular simulations of lipid flip-flop in the presence of model transmembrane helices.
Biochemistry 2010;49(35):7665-73.
2010: David I Chan; D Peter Tieleman; Hans J Vogel
Molecular dynamics simulations of beta-ketoacyl-, beta-hydroxyacyl-, and trans-2-enoyl-acyl carrier proteins of Escherichia coli.
Biochemistry 2010;49(13):2860-8.
2010: Siewert J Marrink; Xavier Periole; D Peter Tieleman; Alex H de Vries
Comment on "On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models" by M. Winger, D. Trzesniak, R. Baron and W. F. van Gunsteren, Phys. Chem. Chem. Phys., 2009, 11, 1934.
Physical chemistry chemical physics : PCCP 2010;12(9):2254-6; author reply 2257-8.
2010: Christian Kandt; D Peter Tieleman
Holo-BtuF stabilizes the open conformation of the vitamin B12 ABC transporter BtuCD.
Proteins 2010;78(3):738-53.
2010: Svetlana Baoukina; Siewert J Marrink; D Peter Tieleman
Lateral pressure profiles in lipid monolayers.
Faraday discussions 2010;144():393-409; discussion 445-81.
2010: Werner L Vos; Marieke Schor; Artur Baumgaertner; D Peter Tieleman; Marcus A Hemminga
Molecular dynamics simulations reveal that AEDANS is an inert fluorescent probe for the study of membrane proteins.
European biophysics journal : EBJ 2010;39(2):229-39.
2009: W F Drew Bennett; Justin L MacCallum; Marlon J Hinner; Siewert J Marrink; D Peter Tieleman
Molecular view of cholesterol flip-flop and chemical potential in different membrane environments.
Journal of the American Chemical Society 2009;131(35):12714-20.
2009: Emily Crowley; Megan L O'Mara; Catherine Reynolds; D Peter Tieleman; Janet Storm; Ian D Kerr; Richard Callaghan
Transmembrane helix 12 modulates progression of the ATP catalytic cycle in ABCB1.
Biochemistry 2009;48(26):6249-58.
2009: Jianjun Pan; D Peter Tieleman; John F Nagle; Norbert Kucerka; Stephanie Tristram-Nagle
Alamethicin in lipid bilayers: combined use of X-ray scattering and MD simulations.
Biochimica et biophysica acta 2009;1788(6):1387-97.
2009: Erik Procko; Megan L O'Mara; W F Drew Bennett; D Peter Tieleman; Rachelle Gaudet
The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2009;23(5):1287-302.
2009: Giani Oancea; Megan L O'Mara; W F Drew Bennett; D Peter Tieleman; Rupert Abele; Robert Tampé
Structural arrangement of the transmission interface in the antigen ABC transport complex TAP.
Proceedings of the National Academy of Sciences of the United States of America 2009;106(14):5551-6.
2009: W F Drew Bennett; Justin L MacCallum; D Peter Tieleman
Thermodynamic analysis of the effect of cholesterol on dipalmitoylphosphatidylcholine lipid membranes.
Journal of the American Chemical Society 2009;131(5):1972-8.
2009: P Thomas Vernier; Zachary A Levine; Yu-Hsuan Wu; Vanessa Joubert; Matthew J Ziegler; Lluis M Mir; D Peter Tieleman
Electroporating fields target oxidatively damaged areas in the cell membrane.
PloS one 2009;4(11):e7966.
2009: Siewert J Marrink; André H M de Vries; D Peter Tieleman
Lipids on the move: simulations of membrane pores, domains, stalks and curves.
Biochimica et biophysica acta 2009;1788(1):149-68.
2008: David I Chan; Thomas Stockner; D Peter Tieleman; Hans J Vogel
Molecular dynamics simulations of the Apo-, Holo-, and acyl-forms of Escherichia coli acyl carrier protein.
The Journal of biological chemistry 2008;283(48):33620-9.
2008: D Peter Tieleman; Raymond J Turner; Hans J Vogel; Joel Weiner
Structural proteomics of the cell envelope of Gram-negative bacteria.
Biochimica et biophysica acta 2008;1778(9):1697.
2008: Anastassiia Moussatova; Christian Kandt; Megan L O'Mara; D Peter Tieleman
ATP-binding cassette transporters in Escherichia coli.
Biochimica et biophysica acta 2008;1778(9):1757-71.
2008: Svetlana Baoukina; Luca Monticelli; H Jelger Risselada; Siewert J Marrink; D Peter Tieleman
The molecular mechanism of lipid monolayer collapse.
Proceedings of the National Academy of Sciences of the United States of America 2008;105(31):10803-8.
2008: Luca Monticelli; Eric J Sorin; D Peter Tieleman; Vijay S Pande; Giorgio Colombo
Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories.
Journal of computational chemistry 2008;29(11):1740-52.
2008: Jirasak Wong-Ekkabut; Svetlana Baoukina; Wannapong Triampo; I-Ming Tang; D Peter Tieleman; Luca Monticelli
Computer simulation study of fullerene translocation through lipid membranes.
Nature nanotechnology 2008;3(6):363-8.
2008: Justin L MacCallum; W F Drew Bennett; D Peter Tieleman
Distribution of amino acids in a lipid bilayer from computer simulations.
Biophysical journal 2008;94(9):3393-404.
2008: Edit Mátyus; Katalin Blaskó; Judit Fidy; D Peter Tieleman
Structure and dynamics of the antifungal molecules Syringotoxin-B and Syringopeptin-25A from molecular dynamics simulation.
European biophysics journal : EBJ 2008;37(4):495-502.
2008: Janet Storm; Szabolcs Modok; Megan L O'Mara; D Peter Tieleman; Ian D Kerr; Richard Callaghan
Cytosolic region of TM6 in P-glycoprotein: topographical analysis and functional perturbation by site directed labeling.
Biochemistry 2008;47(12):3615-24.
2007: Jirasak Wong-Ekkabut; Zhitao Xu; Wannapong Triampo; I-Ming Tang; D Peter Tieleman; Luca Monticelli
Effect of lipid peroxidation on the properties of lipid bilayers: a molecular dynamics study.
Biophysical journal 2007;93(12):4225-36.
2007: Svetlana Baoukina; Luca Monticelli; Siewert J Marrink; D Peter Tieleman
Pressure-area isotherm of a lipid monolayer from molecular dynamics simulations.
Langmuir : the ACS journal of surfaces and colloids 2007;23(25):12617-23.
2007: Svetlana Baoukina; Luca Monticelli; Matthias Amrein; D Peter Tieleman
The molecular mechanism of monolayer-bilayer transformations of lung surfactant from molecular dynamics simulations.
Biophysical journal 2007;93(11):3775-82.
2007: Megan L O'Mara; D Peter Tieleman
P-glycoprotein models of the apo and ATP-bound states based on homology with Sav1866 and MalK.
FEBS letters 2007;581(22):4217-22.
2007: Janet Storm; Megan L O'Mara; Emily H Crowley; Jonathan Peall; D Peter Tieleman; Ian D Kerr; Richard Callaghan
Residue G346 in transmembrane segment six is involved in inter-domain communication in P-glycoprotein.
Biochemistry 2007;46(35):9899-910.
2007: Gaurav Choudhary; Marcela P Aliste; D Peter Tieleman; Robert J French; Samuel C Dudley
Docking of mu-conotoxin GIIIA in the sodium channel outer vestibule.
Channels (Austin, Tex.) 2007;1(5):344-52.
2007: Eoin P Coll; Christian Kandt; David Bird; Anne Lacey Samuels; D Peter Tieleman
The distribution and conformation of very long-chain plant wax components in a lipid bilayer.
The journal of physical chemistry. B 2007;111(30):8702-4.
2007: Siewert J Marrink; H Jelger Risselada; Serge Yefimov; D Peter Tieleman; André H M de Vries
The MARTINI force field: coarse grained model for biomolecular simulations.
The journal of physical chemistry. B 2007;111(27):7812-24.
2007: Catherine S Chan; Marian R Zlomislic; D Peter Tieleman; Raymond J Turner
The TatA subunit of Escherichia coli twin-arginine translocase has an N-in topology.
Biochemistry 2007;46(25):7396-404.
2007: Justin L MacCallum; W F Drew Bennett; D Peter Tieleman
Partitioning of amino acid side chains into lipid bilayers: results from computer simulations and comparison to experiment.
The Journal of general physiology 2007;129(5):371-7.
2007: Jacob Sonne; Christian Kandt; Günther H Peters; Flemming Y Hansen; Morten Ø Jensen; D Peter Tieleman
Simulation of the coupling between nucleotide binding and transmembrane domains in the ATP binding cassette transporter BtuCD.
Biophysical journal 2007;92(8):2727-34.
2007: Edgar Kooijman; D Peter Tieleman; Christa Testerink; Teun Munnik; Dirk T S Rijkers; Koert Burger; Ben de Kruijff
An electrostatic/hydrogen bond switch as the basis for the specific interaction of phosphatidic acid with proteins.
The Journal of biological chemistry 2007;282(15):11356-64.
2007: Justin L MacCallum; Maria Sabaye Moghaddam; Hue Sun Chan; D Peter Tieleman
Hydrophobic association of alpha-helices, steric dewetting, and enthalpic barriers to protein folding.
Proceedings of the National Academy of Sciences of the United States of America 2007;104(15):6206-10.
2007: Christian Kandt; Walter L Ash; D Peter Tieleman
Setting up and running molecular dynamics simulations of membrane proteins.
Methods (San Diego, Calif.) 2007;41(4):475-88.
2007: Zhitao Xu; Harry H Luo; D Peter Tieleman
Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues.
Journal of computational chemistry 2007;28(3):689-97.
2007: Edit Mátyus; Christian Kandt; D Peter Tieleman
Computer simulation of antimicrobial peptides.
Current medicinal chemistry 2007;14(26):2789-98.
2006: Eliud O Oloo; Christian Kandt; Megan L O'Mara; D Peter Tieleman
Computer simulations of ABC transporter components.
Biochemistry and cell biology = Biochimie et biologie cellulaire 2006;84(6):900-11.
2006: Christian Kandt; Zhitao Xu; D Peter Tieleman
Opening and closing motions in the periplasmic vitamin B12 binding protein BtuF.
Biochemistry 2006;45(44):13284-92.
2006: P Thomas Vernier; Matthew J Ziegler; Yinghua Sun; Martin A Gundersen; D Peter Tieleman
Nanopore-facilitated, voltage-driven phosphatidylserine translocation in lipid bilayers--in cells and in silico.
Physical biology 2006;3(4):233-47.
2006: D Peter Tieleman
Computer simulations of transport through membranes: passive diffusion, pores, channels and transporters.
Clinical and experimental pharmacology & physiology 2006;33(10):893-903.
2006: D Peter Tieleman; Siewert J Marrink
Lipids out of equilibrium: energetics of desorption and pore mediated flip-flop.
Journal of the American Chemical Society 2006;128(38):12462-7.
2006: Eliud O Oloo; Eric Y Fung; D Peter Tieleman
The dynamics of the MgATP-driven closure of MalK, the energy-transducing subunit of the maltose ABC transporter.
The Journal of biological chemistry 2006;281(38):28397-407.
2006: Edit Mátyus; Luca Monticelli; K E Kövér; Z Xu; Katalin Blaskó; Judit Fidy; D Peter Tieleman
Structural investigation of syringomycin-E using molecular dynamics simulation and NMR.
European biophysics journal : EBJ 2006;35(6):459-67.
2006: D Peter Tieleman; Zhitao Xu; Walter L Ash; Christian Kandt; Justin L MacCallum; Luca Monticelli
Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins.
Journal of physics. Condensed matter : an Institute of Physics journal 2006;18(28):S1221-34.
2006: P Thomas Vernier; Matthew J Ziegler; Yinghua Sun; Wenji V Chang; Martin A Gundersen; D Peter Tieleman
Nanopore formation and phosphatidylserine externalization in a phospholipid bilayer at high transmembrane potential.
Journal of the American Chemical Society 2006;128(19):6288-9.
2006: Justin L MacCallum; D Peter Tieleman
Computer simulation of the distribution of hexane in a lipid bilayer: spatially resolved free energy, entropy, and enthalpy profiles.
Journal of the American Chemical Society 2006;128(1):125-30.
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: Emma Sparr; Walter L Ash; Petr V Nazarov; Dirk T S Rijkers; Marcus A Hemminga; D Peter Tieleman; J Antoinette Killian
Self-association of transmembrane alpha-helices in model membranes: importance of helix orientation and role of hydrophobic mismatch.
The Journal of biological chemistry 2005;280(47):39324-31.
2005: Luca Monticelli; D Peter Tieleman; Giorgio Colombo
Mechanism of helix nucleation and propagation: microscopic view from microsecond time scale MD simulations.
The journal of physical chemistry. B 2005;109(43):20064-7.
2005: Thomas Stockner; Hans J Vogel; D Peter Tieleman
A salt-bridge motif involved in ligand binding and large-scale domain motions of the maltose-binding protein.
Biophysical journal 2005;89(5):3362-71.
2005: Evan Kelly; Gilbert G Privé; D Peter Tieleman
Molecular models of lipopeptide detergents: large coiled-coils with hydrocarbon interiors.
Journal of the American Chemical Society 2005;127(39):13446-7.
2005: Hernán Ahumada; Rodrigo Montecinos; D Peter Tieleman; Boris E Weiss-López
Orientation and dynamics of benzyl alcohol and benzyl alkyl ethers dissolved in nematic lyotropic liquid crystals. 2H NMR and molecular dynamics simulations.
The journal of physical chemistry. A 2005;109(30):6644-51.
2005: Barbara Hoff; Erik Strandberg; Anne S Ulrich; D Peter Tieleman; Clemens Posten
2H-NMR study and molecular dynamics simulation of the location, alignment, and mobility of pyrene in POPC bilayers.
Biophysical journal 2005;88(3):1818-27.
2005: Marcela Aliste; D Peter Tieleman
Computer simulation of partitioning of ten pentapeptides Ace-WLXLL at the cyclohexane/water and phospholipid/water interfaces.
BMC biochemistry 2005;6():30.
2004: Walter L Ash; Marian R Zlomislic; Eliud O Oloo; D Peter Tieleman
Computer simulations of membrane proteins.
Biochimica et biophysica acta 2004;1666(1-2):158-89.
2004: Eliud O Oloo; D Peter Tieleman
Conformational transitions induced by the binding of MgATP to the vitamin B12 ATP-binding cassette (ABC) transporter BtuCD.
The Journal of biological chemistry 2004;279(43):45013-9.
2004: Thomas Stockner; Walter L Ash; Justin L MacCallum; D Peter Tieleman
Direct simulation of transmembrane helix association: role of asparagines.
Biophysical journal 2004;87(3):1650-6.
2004: Walter L Ash; Thomas Stockner; Justin L MacCallum; D Peter Tieleman
Computer modeling of polyleucine-based coiled coil dimers in a realistic membrane environment: insight into helix-helix interactions in membrane proteins.
Biochemistry 2004;43(28):9050-60.
2004: D Peter Tieleman
The molecular basis of electroporation.
BMC biochemistry 2004;5():10.
2004: Rodrigo Montecinos; Hernán Ahumada; R Martínez; F A Olea; Ramiro Araya-Maturana; Marcela Aliste; D Peter Tieleman; Boris E Weiss-López
Structure and aggregation number of a lyotropic liquid crystal: a fluorescence quenching and molecular dynamics study.
Langmuir : the ACS journal of surfaces and colloids 2004;20(14):5703-8.
2004: Ning Zhou; D Peter Tieleman; Hans J Vogel
Molecular dynamics simulations of bovine lactoferricin: turning a helix into a sheet.
Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine 2004;17(3):217-23.
2004: Luca Monticelli; Kindal M Robertson; Justin L MacCallum; D Peter Tieleman
Computer simulation of the KvAP voltage-gated potassium channel: steered molecular dynamics of the voltage sensor.
FEBS letters 2004;564(3):325-32.
2004: Parag Mukhopadhyay; Luca Monticelli; D Peter Tieleman
Molecular dynamics simulation of a palmitoyl-oleoyl phosphatidylserine bilayer with Na+ counterions and NaCl.
Biophysical journal 2004;86(3):1601-9.
2004: Amit Kessel; D Peter Tieleman; Nir Ben-Tal
Implicit solvent model estimates of the stability of model structures of the alamethicin channel.
European biophysics journal : EBJ 2004;33(1):16-28.
2004: Parag Mukhopadhyay; Hans J Vogel; D Peter Tieleman
Distribution of pentachlorophenol in phospholipid bilayers: a molecular dynamics study.
Biophysical journal 2004;86(1 Pt 1):337-45.
2003: Justin L MacCallum; D Peter Tieleman
Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field.
Journal of computational chemistry 2003;24(15):1930-5.
2003: Marcela Aliste; Justin L MacCallum; D Peter Tieleman
Molecular dynamics simulations of pentapeptides at interfaces: salt bridge and cation-pi interactions.
Biochemistry 2003;42(30):8976-87.
2003: D Peter Tieleman; Hari Leontiadou; Alan E Mark; Siewert J Marrink
Simulation of pore formation in lipid bilayers by mechanical stress and electric fields.
Journal of the American Chemical Society 2003;125(21):6382-3.
2003: Indira Chandrasekhar; Mika A Kastenholz; Roberto D Lins; Chris Oostenbrink; Lukas D Schuler; D Peter Tieleman; Wilfred F van Gunsteren
A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field.
European biophysics journal : EBJ 2003;32(1):67-77.
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: Craig M Shepherd; Hans J Vogel; D Peter Tieleman
Interactions of the designed antimicrobial peptide MB21 and truncated dermaseptin S3 with lipid bilayers: molecular-dynamics simulations.
The Biochemical journal 2003;370(Pt 1):233-43.
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: Justin L MacCallum; D Peter Tieleman
Structures of neat and hydrated 1-octanol from computer simulations.
Journal of the American Chemical Society 2002;124(50):15085-93.
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: Siewert J Marrink; D Peter Tieleman
Molecular dynamics simulation of spontaneous membrane fusion during a cubic-hexagonal phase transition.
Biophysical journal 2002;83(5):2386-92.
2002: Kindal M Robertson; D Peter Tieleman
Orientation and interactions of dipolar molecules during transport through OmpF porin.
FEBS letters 2002;528(1-3):53-7.
2002: D Peter Tieleman; Joe Bentz
Molecular dynamics simulation of the evolution of hydrophobic defects in one monolayer of a phosphatidylcholine bilayer: relevance for membrane fusion mechanisms.
Biophysical journal 2002;83(3):1501-10.
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: Bert L de Groot; D Peter Tieleman; Peter Pohl; Helmut Grubmüller
Water permeation through gramicidin A: desformylation and the double helix: a molecular dynamics study.
Biophysical journal 2002;82(6):2934-42.
2002: Kindal M Robertson; D Peter Tieleman
Molecular basis of voltage gating of OmpF porin.
Biochemistry and cell biology = Biochimie et biologie cellulaire 2002;80(5):517-23.
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.
2001: Siewert J Marrink; D Peter Tieleman
Molecular dynamics simulation of a lipid diamond cubic phase.
Journal of the American Chemical Society 2001;123(49):12383-91.
2001: D Peter Tieleman; Philip C Biggin; G R Smith; M S Sansom
Simulation approaches to ion channel structure-function relationships.
Quarterly reviews of biophysics 2001;34(4):473-561.
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: 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: 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: 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: D Peter Tieleman; Herman J C Berendsen; MS Sansom
Surface binding of alamethicin stabilizes its helical structure: molecular dynamics simulations.
Biophysical journal 1999;76(6):3186-91.
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: D Peter Tieleman; Herman J C Berendsen; MS Sansom
An alamethicin channel in a lipid bilayer: molecular dynamics simulations.
Biophysical journal 1999;76(4):1757-69.
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: D Peter Tieleman; MS Sansom; Herman J C Berendsen
Alamethicin helices in a bilayer and in solution: molecular dynamics simulations.
Biophysical journal 1999;76(1 Pt 1):40-9.
1998: D Peter Tieleman; L R Forrest; MS Sansom; Herman J C Berendsen
Lipid properties and the orientation of aromatic residues in OmpF, influenza M2, and alamethicin systems: molecular dynamics simulations.
Biochemistry 1998;37(50):17554-61.
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: D Peter Tieleman; Herman J C Berendsen
A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer.
Biophysical journal 1998;74(6):2786-801.
1998: D Peter Tieleman; Jason Breed; Herman J C Berendsen; MS Sansom
Alamethicin channels in a membrane: molecular dynamics simulations.
Faraday discussions 1998;(111):209-23; discussion 225-46.
1997: D Peter Tieleman; Siewert J Marrink; H J Berendsen
A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems.
Biochimica et biophysica acta 1997;1331(3):235-70.
1996: D van der Spoel; A R van Buuren; D Peter Tieleman; Herman J C Berendsen
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