From post

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

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

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed.

 

Другие публикации лиц с тем же именем

Estimating relative free energies from a single ensemble: Hydration free energies., , и . J. Comput. Chem., 20 (15): 1604-1617 (1999)Molecular dynamics simulations of cyclosporin A: The crystal structure and dynamic modelling of a structure in apolar solution based on NMR data., , , и . J. Comput. Aided Mol. Des., 1 (3): 219-241 (1987)Parametrization of aliphatic CHn united atoms of GROMOS96 force field., , и . 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., и . J. Comput. Chem., 30 (11): 1664-1679 (2009)Basic ingredients of free energy calculations: A review., , и . J. Comput. Chem., 31 (8): 1569-1582 (2010)On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins., , и . J. Comput. Chem., 42 (18): 1263-1282 (2021)Conformational state-specific free energy differences by one-step perturbation: Protein secondary structure preferences of the GROMOS 43A1 and 53A6 force fields., , и . J. Comput. Chem., 32 (10): 2290-2297 (2011)Polarizable coarse-grained models for molecular dynamics simulation of liquid cyclohexane., , и . J. Comput. Chem., 36 (17): 1311-1321 (2015)A GPU solvent-solvent interaction calculation accelerator for biomolecular simulations using the GROMOS software., , и . J. Comput. Chem., 31 (8): 1636-1643 (2010)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., , , , , и . J. Comput. Chem., 33 (24): 1907-1917 (2012)