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Disambiguation of "van Gunsteren, Wilfred F."

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A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6.

, , , and . J. Comput. Chem., 25 (13): 1656-1676 (2004)

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Wilfred Hugo van Soldt

Wilfred Frey

Wilfred Wesemann

Wilfred Wright

Wilfred Waiblinger

 

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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)Estimating relative free energies from a single ensemble: Hydration free energies., , and . J. Comput. Chem., 20 (15): 1604-1617 (1999)Basic ingredients of free energy calculations: A review., , and . J. Comput. Chem., 31 (8): 1569-1582 (2010)Parametrization of aliphatic CHn united atoms of GROMOS96 force field., , and . J. Comput. Chem., 19 (5): 535-547 (1998)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)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)Practical Aspects of Free-Energy Calculations: A Review, and . Journal of Chemical Theory and Computation, 10 (7): 2632-2647 (July 2014)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)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)