Computer Simulation of the Distribution of Hexane in a Lipid Bilayer:  Spatially Resolved Free Energy, Entropy, and Enthalpy Profiles von MacCallum, Justin L, Tieleman, D. Peter

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Simulation of Pore Formation in Lipid Bilayers by Mechanical Stress and Electric Fields von Tieleman, D. Peter, Leontiadou, Hari, Mark, Alan E, Marrink, Siewert-Jan

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Molecular Dynamics Simulation of a Palmitoyl-Oleoyl Phosphatidylserine Bilayer with Na + Counterions and NaCl von Mukhopadhyay, Parag, Monticelli, Luca, Tieleman, D. Peter

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Computer simulations of membrane proteins von Ash, Walter L., Zlomislic, Marian R., Oloo, Eliud O., Tieleman, D. Peter

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Molecular Dynamics Simulation of the Kinetics of Spontaneous Micelle Formation von Marrink, S. J, Tieleman, D. P, Mark, A. E

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A Molecular Dynamics Study of the Pores Formed by Escherichia coli OmpF Porin in a Fully Hydrated Palmitoyloleoylphosphatidylcholine Bilayer von Tieleman, D.P., Berendsen, H.J.C.

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Nanopore Formation and Phosphatidylserine Externalization in a Phospholipid Bilayer at High Transmembrane Potential von Vernier, P. Thomas, Ziegler, Matthew J, Sun, Yinghua, Chang, Wenji V, Gundersen, Martin A, Tieleman, D. Peter

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Methodological Issues in Lipid Bilayer Simulations von Anézo, Céline, de Vries, Alex H, Höltje, Hans-Dieter, Tieleman, D. Peter, Marrink, Siewert-Jan

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Molecular Dynamics Simulation of a Polyunsaturated Lipid Bilayer Susceptible to Lipid Peroxidation von Bachar, Michal, Brunelle, Patrick, Tieleman, D. Peter, Rauk, Arvi

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Self-association of transmembrane alpha-helices in model membranes: importance of helix orientation and role of hydrophobic mismatch von Sparr, Emma, Ash, Walter L, Nazarov, Petr V, Rijkers, Dirk T S, Hemminga, Marcus A, Tieleman, D Peter, Killian, J Antoinette

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Conformational Transitions Induced by the Binding of MgATP to the Vitamin B12 ATP-binding Cassette (ABC) Transporter BtuCD von Oloo, Eliud O, Tieleman, D Peter

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The Heterodimeric ABC Transporter EfrCD Mediates Multidrug Efflux in Enterococcus faecalis von Hürlimann, LM, Corradi, V, Hohl, M, Bloemberg, GV, Tieleman, DP, Seeger, MA

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Structures of Neat and Hydrated 1-Octanol from Computer Simulations von MacCallum, Justin L, Tieleman, D. Peter

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Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field von MacCallum, Justin L., Tieleman, D. Peter

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A Salt-Bridge Motif Involved in Ligand Binding and Large-Scale Domain Motions of the Maltose-Binding Protein von Stockner, Thomas, Vogel, Hans J., Tieleman, D. Peter

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Molecular Dynamics Simulations of Dodecylphosphocholine Micelles at Three Different Aggregate Sizes:  Micellar Structure and Chain Relaxation von Tieleman, D. P, van der Spoel, D, Berendsen, H. J. C

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Analysis and Evaluation of Channel Models: Simulations of Alamethicin von Peter Tieleman, D., Hess, Berk, Sansom, Mark S.P.

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Structural and functional basis for lipid synergy on the activity of the antibacterial peptide ABC transporter McjD von Mehmood, S, Corradi, V, Choudhury, HG, Hussain, R, Becker, P, Axford, D, Zirah, S, Rebuffat, S, Tieleman, DP, Robinson, CV, Beis, K

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Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD von Bountra, K, Hagelueken, G, Choudhury, HG, Corradi, V, El Omari, K, Wagner, A, Mathavan, I, Zirah, S, Yuan Wahlgren, W, Tieleman, DP, Schiemann, O, Rebuffat, S, Beis, K

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K + versus Na + Ions in a K Channel Selectivity Filter: A Simulation Study von Shrivastava, Indira H., Peter Tieleman, D., Biggin, Philip C., Sansom, Mark S.P.

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