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Basic ingredients of free energy calculations: A review., , and . J. Comput. Chem., 31 (8): 1569-1582 (2010)Comparison of three enveloping distribution sampling Hamiltonians for the estimation of multiple free energy differences from a single simulation., and . J. Comput. Chem., 30 (11): 1664-1679 (2009)Estimating relative free energies from a single ensemble: Hydration free energies., , and . J. Comput. Chem., 20 (15): 1604-1617 (1999)Parametrization of aliphatic CHn united atoms of GROMOS96 force field., , and . J. Comput. Chem., 19 (5): 535-547 (1998)Molecular dynamics simulations of cyclosporin A: The crystal structure and dynamic modelling of a structure in apolar solution based on NMR data., , , and . J. Comput. Aided Mol. Des., 1 (3): 219-241 (1987)Conformational state-specific free energy differences by one-step perturbation: Protein secondary structure preferences of the GROMOS 43A1 and 53A6 force fields., , and . J. Comput. Chem., 32 (10): 2290-2297 (2011)On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins., , and . J. Comput. Chem., 42 (18): 1263-1282 (2021)A novel approach for designing simple point charge models for liquid water with three interaction sites., , and . J. Comput. Chem., 24 (9): 1087-1096 (2003)On the direct calculation of the free energy of quantization for molecular systems in the condensed phase., , , and . J. Comput. Chem., 30 (4): 514-523 (2009)Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol., , , , , and . J. Comput. Chem., 33 (24): 1907-1917 (2012)