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Peter Tieleman

This is a preview profile on BiomedExperts - the first literature-based scientific social network. It brings the right researchers together and allows them to collaborate online. Collexis and Dell provide the BiomedExperts network of +1.5 Million pre-calculated profiles free of charge to researchers worldwide.

Research Profile (preview)

Concepts & Ideas

Activities & Behaviors

Computer Simulation

Anatomy

Lipid Bilayers

Chemicals & Drugs

Occupations

Phenomena

Genes & Molecular Sequences

Amino Acid Sequence

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Co-Publications
Name
15
Sansom, Mark
12
MacCallum, Justin
10
Marrink, Siewert
10
Monticelli, Luca
10
Berendsen, Herman
7
Kandt, Christian
6
O'Mara, Megan
6
Vogel, Hans
5
Sansom, MS
5
Ash, Walter
4
Baoukina, Svetlana
4
Biggin, Philip
4
Forrest, LR
4
Stockner, Thomas
4
Oloo, Eliud

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Publications

TOP 3
Bennett W F Drew; MacCallum Justin L; Hinner Marlon J; Marrink Siewert J; Tieleman D Peter
Molecular view of cholesterol flip-flop and chemical potential in different membrane environments.
Crowley Emily; O'Mara Megan L; Reynolds Catherine; Tieleman D Peter; Storm Janet; Kerr Ian D; Callaghan Richard
Transmembrane helix 12 modulates progression of the ATP catalytic cycle in ABCB1.
Pan Jianjun; Tieleman D Peter; Nagle John F; Kucerka Norbert; Tristram-Nagle Stephanie
Alamethicin in lipid bilayers: combined use of X-ray scattering and MD simulations.

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All Publications

2009: Bennett W F Drew; MacCallum Justin L; Hinner Marlon J; Marrink Siewert J; Tieleman D Peter
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: Crowley Emily; O'Mara Megan L; Reynolds Catherine; Tieleman D Peter; Storm Janet; Kerr Ian D; Callaghan Richard
Transmembrane helix 12 modulates progression of the ATP catalytic cycle in ABCB1.
Biochemistry 2009;48(26):6249-58.
2009: Pan Jianjun; Tieleman D Peter; Nagle John F; Kucerka Norbert; Tristram-Nagle Stephanie
Alamethicin in lipid bilayers: combined use of X-ray scattering and MD simulations.
Biochimica et biophysica acta 2009;1788(6):1387-97.
2009: Procko Erik; O'Mara Megan L; Bennett W F Drew; Tieleman D Peter; Gaudet Rachelle
The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter.
The FASEB journal : official publication of the Federation of American Societies for Experimental Biology 2009;23(5):1287-302.
2009: Oancea Giani; O'Mara Megan L; Bennett W F Drew; Tieleman D Peter; Abele Rupert; Tampé Robert
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: Bennett W F Drew; MacCallum Justin L; Tieleman D Peter
Thermodynamic analysis of the effect of cholesterol on dipalmitoylphosphatidylcholine lipid membranes.
Journal of the American Chemical Society 2009;131(5):1972-8.
2009: Marrink Siewert J; de Vries Alex H; Tieleman D Peter
Lipids on the move: simulations of membrane pores, domains, stalks and curves.
Biochimica et biophysica acta 2009;1788(1):149-68.
2008: Chan David I; Stockner Thomas; Tieleman D Peter; Vogel Hans J
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: Tieleman D Peter; Turner Raymond J; Vogel Hans J; Weiner Joel H
Structural proteomics of the cell envelope of Gram-negative bacteria.
Biochimica et biophysica acta 2008;1778(9):1697.
2008: Moussatova Anastassiia; Kandt Christian; O'Mara Megan L; Tieleman D Peter
ATP-binding cassette transporters in Escherichia coli.
Biochimica et biophysica acta 2008;1778(9):1757-71.
2008: Baoukina Svetlana; Monticelli Luca; Risselada H Jelger; Marrink Siewert J; Tieleman D Peter
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: Monticelli Luca; Sorin Eric J; Tieleman D Peter; Pande Vijay S; Colombo Giorgio
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: Wong-Ekkabut Jirasak; Baoukina Svetlana; Triampo Wannapong; Tang I-Ming; Tieleman D Peter; Monticelli Luca
Computer simulation study of fullerene translocation through lipid membranes.
Nature nanotechnology 2008;3(6):363-8.
2008: MacCallum Justin L; Bennett W F Drew; Tieleman D Peter
Distribution of amino acids in a lipid bilayer from computer simulations.
Biophysical journal 2008;94(9):3393-404.
2008: Mátyus E; Blaskó K; Fidy J; Tieleman D P
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: Storm Janet; Modok Szabolcs; O'Mara Megan L; Tieleman D Peter; Kerr Ian D; Callaghan Richard
Cytosolic region of TM6 in P-glycoprotein: topographical analysis and functional perturbation by site directed labeling.
Biochemistry 2008;47(12):3615-24.
2007: Baoukina Svetlana; Monticelli Luca; Marrink Siewert J; Tieleman D Peter
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: Wong-Ekkabut Jirasak; Xu Zhitao; Triampo Wannapong; Tang I-Ming; Tieleman D Peter; Monticelli Luca
Effect of lipid peroxidation on the properties of lipid bilayers: a molecular dynamics study.
Biophysical journal 2007;93(12):4225-36.
2007: Baoukina Svetlana; Monticelli Luca; Amrein Matthias; Tieleman D Peter
The molecular mechanism of monolayer-bilayer transformations of lung surfactant from molecular dynamics simulations.
Biophysical journal 2007;93(11):3775-82.
2007: Choudhary Gaurav; Aliste Marcela P; Tieleman D Peter; French Robert J; Dudley Samuel C
Docking of mu-conotoxin GIIIA in the sodium channel outer vestibule.
Channels (Austin, Tex.) 2007;1(5):344-52.
2007: O'Mara Megan L; Tieleman D Peter
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: Storm Janet; O'Mara Megan L; Crowley Emily H; Peall Jonathan; Tieleman D Peter; Kerr Ian D; Callaghan Richard
Residue G346 in transmembrane segment six is involved in inter-domain communication in P-glycoprotein.
Biochemistry 2007;46(35):9899-910.
2007: Coll Eoin P; Kandt Christian; Bird David A; Samuels A Lacey; Tieleman D Peter
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: Marrink Siewert J; Risselada H Jelger; Yefimov Serge; Tieleman D Peter; de Vries Alex H
The MARTINI force field: coarse grained model for biomolecular simulations.
The journal of physical chemistry. B 2007;111(27):7812-24.
2007: Chan Catherine S; Zlomislic Marian R; Tieleman D Peter; Turner Raymond J
The TatA subunit of Escherichia coli twin-arginine translocase has an N-in topology.
Biochemistry 2007;46(25):7396-404.
2007: MacCallum Justin L; Bennett W F Drew; Tieleman D Peter
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: MacCallum Justin L; Moghaddam Maria Sabaye; Chan Hue Sun; Tieleman D Peter
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: Kandt Christian; Ash Walter L; Tieleman D Peter
Setting up and running molecular dynamics simulations of membrane proteins.
Methods (San Diego, Calif.) 2007;41(4):475-88.
2007: Kooijman Edgar E; Tieleman D Peter; Testerink Christa; Munnik Teun; Rijkers Dirk T S; Burger Koert N J; de Kruijff Ben
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: Sonne Jacob; Kandt Christian; Peters Günther H; Hansen Flemming Y; Jensen Morten Ø; Tieleman D Peter
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: Xu Zhitao; Luo Harry H; Tieleman D Peter
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: Mátyus Edit; Kandt Christian; Tieleman D Peter
Computer simulation of antimicrobial peptides.
Current medicinal chemistry 2007;14(26):2789-98.
2006: Oloo Eliud O; Kandt Christian; O'Mara Megan L; Tieleman D Peter
Computer simulations of ABC transporter components.
Biochemistry and cell biology = Biochimie et biologie cellulaire 2006;84(6):900-11.
2006: Vernier P Thomas; Ziegler Matthew J; Sun Yinghua; Gundersen Martin A; Tieleman D Peter
Nanopore-facilitated, voltage-driven phosphatidylserine translocation in lipid bilayers--in cells and in silico.
Physical biology 2006;3(4):233-47.
2006: Kandt Christian; Xu Zhitao; Tieleman D Peter
Opening and closing motions in the periplasmic vitamin B12 binding protein BtuF.
Biochemistry 2006;45(44):13284-92.
2006: Tieleman D Peter
Computer simulations of transport through membranes: passive diffusion, pores, channels and transporters.
Clinical and experimental pharmacology & physiology 2006;33(10):893-903.
2006: Tieleman D Peter; Marrink Siewert-Jan
Lipids out of equilibrium: energetics of desorption and pore mediated flip-flop.
Journal of the American Chemical Society 2006;128(38):12462-7.
2006: Oloo Eliud O; Fung Eric Y; Tieleman D Peter
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: Mátyus E; Monticelli L; Kövér K E; Xu Z; Blaskó K; Fidy J; Tieleman D P
Structural investigation of syringomycin-E using molecular dynamics simulation and NMR.
European biophysics journal : EBJ 2006;35(6):459-67.
2006: Vernier P Thomas; Ziegler Matthew J; Sun Yinghua; Chang Wenji V; Gundersen Martin A; Tieleman D Peter
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: MacCallum Justin L; Tieleman D Peter
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: Ulmschneider Martin B; Tieleman D Peter; Sansom Mark S P
The role of extra-membranous inter-helical loops in helix-helix interactions.
Protein engineering, design & selection : PEDS 2005;18(12):563-70.
2005: Monticelli Luca; Tieleman D Peter; Colombo Giorgio
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: Sparr Emma; Ash Walter L; Nazarov Petr V; Rijkers Dirk T S; Hemminga Marcus A; Tieleman D Peter; Killian J Antoinette
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: Stockner Thomas; Vogel Hans J; Tieleman D Peter
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: Kelly Evan; Privé Gilbert G; Tieleman D Peter
Molecular models of lipopeptide detergents: large coiled-coils with hydrocarbon interiors.
Journal of the American Chemical Society 2005;127(39):13446-7.
2005: Ahumada H; Montecinos R; Tieleman D P; Weiss-López B E
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: Hoff Barbara; Strandberg Erik; Ulrich Anne S; Tieleman D Peter; Posten Clemens
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: Aliste Marcela P; Tieleman D Peter
Computer simulation of partitioning of ten pentapeptides Ace-WLXLL at the cyclohexane/water and phospholipid/water interfaces.
BMC biochemistry 2005;6():30.
2004: Ash Walter L; Zlomislic Marian R; Oloo Eliud O; Tieleman D Peter
Computer simulations of membrane proteins.
Biochimica et biophysica acta 2004;1666(1-2):158-89.
2004: Oloo Eliud O; Tieleman D Peter
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: Stockner Thomas; Ash Walter L; MacCallum Justin L; Tieleman D Peter
Direct simulation of transmembrane helix association: role of asparagines.
Biophysical journal 2004;87(3):1650-6.
2004: Montecinos R; Ahumada H; Martínez R; Olea F A; Araya-Maturana R; Aliste M P; Tieleman D P; Weiss-López B E
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: Tieleman D Peter
The molecular basis of electroporation.
BMC biochemistry 2004;5():10.
2004: Ash Walter L; Stockner Thomas; MacCallum Justin L; Tieleman D Peter
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: Zhou Ning; Tieleman D Peter; Vogel Hans J
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: Monticelli Luca; Robertson Kindal M; MacCallum Justin L; Tieleman D Peter
Computer simulation of the KvAP voltage-gated potassium channel: steered molecular dynamics of the voltage sensor.
FEBS letters 2004;564(3):325-32.
2004: Mukhopadhyay Parag; Monticelli Luca; Tieleman D Peter
Molecular dynamics simulation of a palmitoyl-oleoyl phosphatidylserine bilayer with Na+ counterions and NaCl.
Biophysical journal 2004;86(3):1601-9.
2004: Kessel Amit; Tieleman D Peter; Ben-Tal Nir
Implicit solvent model estimates of the stability of model structures of the alamethicin channel.
European biophysics journal : EBJ 2004;33(1):16-28.
2004: Mukhopadhyay Parag; Vogel Hans J; Tieleman D Peter
Distribution of pentachlorophenol in phospholipid bilayers: a molecular dynamics study.
Biophysical journal 2004;86(1 Pt 1):337-45.
2003: MacCallum Justin L; Tieleman D Peter
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: Aliste Marcela P; MacCallum Justin L; Tieleman D Peter
Molecular dynamics simulations of pentapeptides at interfaces: salt bridge and cation-pi interactions.
Biochemistry 2003;42(30):8976-87.
2003: Tieleman D Peter; Leontiadou Hari; Mark Alan E; Marrink Siewert-Jan
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: Chandrasekhar Indira; Kastenholz Mika; Lins Roberto D; Oostenbrink Chris; Schuler Lukas D; Tieleman D Peter; van Gunsteren Wilfred F
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: Tieleman D Peter; Borisenko Vitali; Sansom Mark S P; Woolley G Andrew
Understanding pH-dependent selectivity of alamethicin K18 channels by computer simulation.
Biophysical journal 2003;84(3):1464-9.
2003: Shepherd Craig M; Vogel Hans J; Tieleman D Peter
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: Law R J; Tieleman D P; Sansom M S P
Pores formed by the nicotinic receptor m2delta Peptide: a molecular dynamics simulation study.
Biophysical journal 2003;84(1):14-27.
2002: MacCallum Justin L; Tieleman D Peter
Structures of neat and hydrated 1-octanol from computer simulations.
Journal of the American Chemical Society 2002;124(50):15085-93.
2002: Tieleman D Peter; Hess Berk; Sansom Mark S P
Analysis and evaluation of channel models: simulations of alamethicin.
Biophysical journal 2002;83(5):2393-407.
2002: Marrink Siewert-Jan; Tieleman D Peter
Molecular dynamics simulation of spontaneous membrane fusion during a cubic-hexagonal phase transition.
Biophysical journal 2002;83(5):2386-92.
2002: Robertson Kindal M; Tieleman D Peter
Orientation and interactions of dipolar molecules during transport through OmpF porin.
FEBS letters 2002;528(1-3):53-7.
2002: Tieleman D Peter; Bentz Joe
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: Shrivastava Indira H; Tieleman D Peter; Biggin Philip C; Sansom Mark S P
K(+) versus Na(+) ions in a K channel selectivity filter: a simulation study.
Biophysical journal 2002;83(2):633-45.
2002: de Groot Bert L; Tieleman D Peter; Pohl Peter; Grubmüller Helmut
Water permeation through gramicidin A: desformylation and the double helix: a molecular dynamics study.
Biophysical journal 2002;82(6):2934-42.
2002: Robertson Kindal M; Tieleman D Peter
Molecular basis of voltage gating of OmpF porin.
Biochemistry and cell biology = Biochimie et biologie cellulaire 2002;80(5):517-23.
2002: Sansom Mark S P; Bond Peter; Beckstein Oliver; Biggin Philip C; Faraldo-Gómez José; Law Richard J; Patargias George; Tieleman D Peter
Water in ion channels and pores--simulation studies.
Novartis Foundation symposium 2002;245():66-78; discussion 79-83, 165-8.
2001: Marrink S J; Tieleman D P
Molecular dynamics simulation of a lipid diamond cubic phase.
Journal of the American Chemical Society 2001;123(49):12383-91.
2001: Tieleman D P; Biggin P C; Smith G R; Sansom M S
Simulation approaches to ion channel structure-function relationships.
Quarterly reviews of biophysics 2001;34(4):473-561.
2001: Tieleman D P; Shrivastava I H; Ulmschneider M R; Sansom M S
Proline-induced hinges in transmembrane helices: possible roles in ion channel gating.
Proteins 2001;44(2):63-72.
2001: Tieleman D P; Berendsen H J; Sansom M S
Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces.
Biophysical journal 2001;80(1):331-46.
2000: Law R J; Forrest L R; Ranatunga K M; La Rocca P; Tieleman D P; Sansom M S
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: Forrest L R; Kukol A; Arkin I T; Tieleman D P; Sansom M S
Exploring models of the influenza A M2 channel: MD simulations in a phospholipid bilayer.
Biophysical journal 2000;78(1):55-69.
1999: La Rocca P; Biggin P C; Tieleman D P; Sansom M S
Simulation studies of the interaction of antimicrobial peptides and lipid bilayers.
Biochimica et biophysica acta 1999;1462(1-2):185-200.
1999: Tieleman D P; Berendsen H J; Sansom M S
Surface binding of alamethicin stabilizes its helical structure: molecular dynamics simulations.
Biophysical journal 1999;76(6):3186-91.
1999: Forrest L R; Tieleman D P; Sansom M S
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: Tieleman D P; Berendsen H J; Sansom M S
An alamethicin channel in a lipid bilayer: molecular dynamics simulations.
Biophysical journal 1999;76(4):1757-69.
1999: Tieleman D P; Sansom M S; Berendsen H J
Alamethicin helices in a bilayer and in solution: molecular dynamics simulations.
Biophysical journal 1999;76(1 Pt 1):40-9.
1999: Sansom M S; Tieleman D P; Berendsen H J
The mechanism of channel formation by alamethicin as viewed by molecular dynamics simulations.
Novartis Foundation symposium 1999;225():128-41; discussion 141-5.
1998: Tieleman D P; Forrest L R; Sansom M S; Berendsen H J
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: Sansom M S; Kerr I D; Law R; Davison L; Tieleman D P
Modelling the packing of transmembrane helices: application to aquaporin-1.
Biochemical Society transactions 1998;26(3):509-15.
1998: Sansom M S; Tieleman D P; Forrest L R; Berendsen H J
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: Tieleman D P; Berendsen H J
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: Tieleman D P; Breed J; Berendsen H J; Sansom M S
Alamethicin channels in a membrane: molecular dynamics simulations.
Faraday discussions 1998;(111):209-23; discussion 225-46.
1997: Tieleman D P; Marrink S J; Berendsen H J
A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems.
Biochimica et biophysica acta 1997;1331(3):235-70.
1996: van der Spoel D; van Buuren A R; Tieleman D P; Berendsen H J
Molecular dynamics simulations of peptides from BPTI: a closer look at amide-aromatic interactions.
Journal of biomolecular NMR 1996;8(3):229-38.

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