The GROMOS software for biomolecular simulation: GROMOS05 M Christen, PH Hünenberger, D Bakowies, R Baron, R Bürgi, DP Geerke, ... Journal of computational chemistry 26 (16), 1719-1751, 2005 | 796 | 2005 |
Biomolecular modeling: goals, problems, perspectives WF Van Gunsteren, D Bakowies, R Baron, I Chandrasekhar, M Christen, ... Angewandte Chemie International Edition 45 (25), 4064-4092, 2006 | 735 | 2006 |
A comparison of methods to compute the potential of mean force D Trzesniak, APE Kunz, WF van Gunsteren ChemPhysChem 8 (1), 162-169, 2007 | 299 | 2007 |
Comparison of thermodynamic properties of coarse‐grained and atomic‐level simulation models R Baron, D Trzesniak, AH de Vries, A Elsener, SJ Marrink, ... ChemPhysChem 8 (3), 452-461, 2007 | 160 | 2007 |
On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models M Winger, D Trzesniak, R Baron, WF van Gunsteren Physical Chemistry Chemical Physics 11 (12), 1934-1941, 2009 | 116 | 2009 |
Exact distances and internal dynamics of perdeuterated ubiquitin from NOE buildups B Vögeli, TF Segawa, D Leitz, A Sobol, A Choutko, D Trzesniak, ... Journal of the American Chemical Society 131 (47), 17215-17225, 2009 | 107 | 2009 |
Computer simulation studies on the solvation of aliphatic hydrocarbons in 6.9 M aqueous urea solution D Trzesniak, NFA van der Vegt, WF van Gunsteren Physical Chemistry Chemical Physics 6 (4), 697-702, 2004 | 97 | 2004 |
New developments in Monte Carlo/quantum mechanics methodology. The solvatochromism of β-carotene in different solvents S Canuto, K Coutinho, D Trzesniak Academic Press 41, 161-183, 2002 | 77 | 2002 |
Energy–entropy compensation in the transfer of nonpolar solutes from water to cosolvent/water mixtures NFA van der Vegt, D Trzesniak, B Kasumaj, WF van Gunsteren ChemPhysChem 5 (1), 144-147, 2004 | 67 | 2004 |
Interpreting NMR data for β-peptides using molecular dynamics simulations D Trzesniak, A Glättli, B Jaun, WF van Gunsteren Journal of the American Chemical Society 127 (41), 14320-14329, 2005 | 52 | 2005 |
Catalytic mechanism of cyclophilin as observed in molecular dynamics simulations: Pathway prediction and reconciliation of X‐ray crystallographic and NMR solution data D Trzesniak, WF Van Gunsteren Protein Science 15 (11), 2544-2551, 2006 | 43 | 2006 |
Protein under pressure: molecular dynamics simulation of the arc repressor D Trzesniak, RD Lins, WF van Gunsteren Proteins: Structure, Function, and Bioinformatics 65 (1), 136-144, 2006 | 40 | 2006 |
Enthalpy− Entropy Compensation in the Effects of Urea on Hydrophobic Interactions NFA van der Vegt, ME Lee, D Trzesniak, WF van Gunsteren The Journal of Physical Chemistry B 110 (26), 12852-12855, 2006 | 39 | 2006 |
Analysis of neo-pentane–urea pair potentials of mean force in aqueous urea D Trzesniak, NFA Van Der Vegt, WFV Gunsteren Molecular Physics 105 (1), 33-39, 2007 | 10 | 2007 |
Pathway dependence of the efficiency of calculating free energy and entropy of solute–solute association in water D Trzesniak, WF van Gunsteren Chemical physics 330 (3), 410-416, 2006 | 9 | 2006 |
Modelagem quântica de inibidores enzimáticos. DRF Trzesniak Universidade de São Paulo, 2002 | 8 | 2002 |
Analysis of the driving forces for biomolecular solvation and association WF van Gunsteren, DP Geerke, D Trzesniak, C Oostenbrink, ... Protein Folding and Drug Design, 177-191, 2007 | 7 | 2007 |
Biomolekulare Modellierung: Ziele, Probleme, Perspektiven WF van Gunsteren, D Bakowies, R Baron, I Chandrasekhar, M Christen, ... Angewandte Chemie 118 (25), 4168-4198, 2006 | 7 | 2006 |
Simulation of an all‐β3‐icosapeptide containing the 20 proteinogenic side chains: Effect of temperature, pH, counterions, solvent, and force field on helix stability D Trzesniak, B Jaun, RI Mathad, WF van Gunsteren Biopolymers: Original Research on Biomolecules 83 (6), 636-645, 2006 | 6 | 2006 |
Interplay between computer simulations and experimental data in physical chemistry and structural biology: Testing, interpretation and prediction DRF Trzesniak ETH Zurich, 2006 | | 2006 |