Daniel Trzesniak
Daniel Trzesniak
Systemorph AG
Verified email at systemorph.com
Title
Cited by
Cited by
Year
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
6722005
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
6152006
A comparison of methods to compute the potential of mean force
D Trzesniak, APE Kunz, WF van Gunsteren
ChemPhysChem 8 (1), 162-169, 2007
2402007
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
1272007
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
1022009
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
882004
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
722009
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
712002
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
642004
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
532005
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
402006
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
372006
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
342006
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
102007
Analysis of the driving forces for biomolecular solvation and association
WF van Gunsteren, DP Geerke, C Oostenbrink, D Trzesniak, ...
Protein folding and drug design: Varenna on Lake Como, Villa Monastero, 4-14 …, 2007
82007
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
72006
Biomolekulare Modellierung: Ziele, Probleme, Perspektiven
WF van Gunsteren, D Bakowies, R Baron, I Chandrasekhar, M Christen, ...
Angewandte Chemie 118 (25), 4168-4198, 2006
62006
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
52006
Modelagem quântica de inibidores enzimáticos.
DRF Trzesniak
Universidade de São Paulo, 2002
32002
Quantum chemical studies of the spectroscopic properties of the E-64 protease inhibitor
D Trzesniak, ACF Caires, PC Almeida, S Canuto
Journal of Molecular Structure: THEOCHEM 585 (1-3), 129-141, 2002
12002
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Articles 1–20