| GROMACS: fast, flexible, and free D Van Der Spoel, E Lindahl, B Hess, G Groenhof, AE Mark, ... Journal of computational chemistry 26 (16), 1701-1718, 2005 | 10174 | 2005 |
| A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force‐field parameter sets 53A5 and 53A6 C Oostenbrink, A Villa, AE Mark, WF Van Gunsteren Journal of computational chemistry 25 (13), 1656-1676, 2004 | 3161 | 2004 |
| Biomolecular simulation: the GROMOS96 manual and user guide WF van Gunsteren, SR Billeter, AA Eising, PH Hünenberger, P Krüger, ... Vdf Hochschulverlag AG an der ETH Zürich, Zürich 86, 1996 | 2504 | 1996 |
| Coarse grained model for semiquantitative lipid simulations SJ Marrink, AH De Vries, AE Mark The Journal of Physical Chemistry B 108 (2), 750-760, 2004 | 2002 | 2004 |
| The GROMOS biomolecular simulation program package WRP Scott, PH Hünenberger, IG Tironi, AE Mark, SR Billeter, J Fennen, ... The Journal of Physical Chemistry A 103 (19), 3596-3607, 1999 | 1548 | 1999 |
| Peptide folding: when simulation meets experiment X Daura, K Gademann, B Jaun, D Seebach, WF Van Gunsteren, AE Mark Angewandte Chemie International Edition 38 (1‐2), 236-240, 1999 | 1362 | 1999 |
| Definition and testing of the GROMOS force-field versions 54A7 and 54B7 N Schmid, AP Eichenberger, A Choutko, S Riniker, M Winger, AE Mark, ... European biophysics journal 40 (7), 843-856, 2011 | 1068 | 2011 |
| Avoiding singularities and numerical instabilities in free energy calculations based on molecular simulations TC Beutler, AE Mark, RC van Schaik, PR Gerber, WF Van Gunsteren Chemical physics letters 222 (6), 529-539, 1994 | 872 | 1994 |
| An Automated force field Topology Builder (ATB) and repository: version 1.0 AK Malde, L Zuo, M Breeze, M Stroet, D Poger, PC Nair, C Oostenbrink, ... Journal of Chemical Theory and Computation 7 (12), 4026–4037, 2011 | 825 | 2011 |
| Mechanism by which 2, 2, 2-trifluoroethanol/water mixtures stabilize secondary-structure formation in peptides: a molecular dynamics study D Roccatano, G Colombo, M Fioroni, AE Mark Proceedings of the National Academy of Sciences 99 (19), 12179-12184, 2002 | 493 | 2002 |
| Toroidal pores formed by antimicrobial peptides show significant disorder D Sengupta, H Leontiadou, AE Mark, SJ Marrink Biochimica et Biophysica Acta (BBA)-Biomembranes 1778 (10), 2308-2317, 2008 | 448 | 2008 |
| Antimicrobial peptides in action H Leontiadou, AE Mark, SJ Marrink Journal of the American Chemical Society 128 (37), 12156-12161, 2006 | 438 | 2006 |
| Simulation of pore formation in lipid bilayers by mechanical stress and electric fields DP Tieleman, H Leontiadou, AE Mark, SJ Marrink Journal of the American Chemical Society 125 (21), 6382-6383, 2003 | 429 | 2003 |
| Parametrization of aliphatic CHn united atoms of GROMOS96 force field X Daura, AE Mark, WF Van Gunsteren Journal of computational chemistry 19 (5), 535-547, 1998 | 426 | 1998 |
| Reversible peptide folding in solution by molecular dynamics simulation X Daura, B Jaun, D Seebach, WF Van Gunsteren, AE Mark Journal of molecular biology 280 (5), 925-932, 1998 | 411 | 1998 |
| Folding–unfolding thermodynamics of a β‐heptapeptide from equilibrium simulations X Daura, WF van Gunsteren, AE Mark Proteins: structure, function, and bioinformatics 34 (3), 269-280, 1999 | 390 | 1999 |
| Fluctuation and cross-correlation analysis of protein motions observed in nanosecond molecular dynamics simulations PH Hünenberger, AE Mark, WF Van Gunsteren Journal of molecular biology 252 (4), 492-503, 1995 | 347 | 1995 |
| Decomposition of the free energy of a system in terms of specific interactions: implications for theoretical and experimental studies AE Mark, WF van Gunsteren Journal of molecular biology 240 (2), 167-176, 1994 | 347 | 1994 |
| The mechanism of vesicle fusion as revealed by molecular dynamics simulations SJ Marrink, AE Mark Journal of the American Chemical Society 125 (37), 11144-11145, 2003 | 345 | 2003 |
| Molecular dynamics simulation of the formation, structure, and dynamics of small phospholipid vesicles SJ Marrink, AE Mark Journal of the American Chemical Society 125 (49), 15233-15242, 2003 | 344 | 2003 |
