Author of the publication

On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems : Overview and Perspective on Issues

, , , , , , , , , and . ChemPhysChem, 22 (3): 264-282 (2021)
DOI: 10.1002/cphc.202000968

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. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

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 . Journal of Computational Chemistry, 33 (24): 1907-1917 (2012)A new GROMOS force field for hexopyranose-based carbohydrates., and . Journal of Computational Chemistry, 26 (13): 1400-1412 (2005)The GROMOS software for biomolecular simulation: GROMOS05., , , , , , , , , and 3 other author(s). Journal of Computational Chemistry, 26 (16): 1719-1751 (2005)New functionalities in the GROMOS biomolecular simulation software., , , , , , , and . Journal of Computational Chemistry, 33 (3): 340-353 (2012)A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations., , and . Journal of Computational Chemistry, 22 (5): 501-508 (2001)Using the local elevation method to construct optimized umbrella sampling potentials: Calculation of the relative free energies and interconversion barriers of glucopyranose ring conformers in water., and . Journal of Computational Chemistry, 31 (1): 1-23 (2010)An improved nucleic acid parameter set for the GROMOS force field., , , , , , , and . Journal of Computational Chemistry, 26 (7): 725-737 (2005)Revision of the GROMOS 56A6CARBO force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains., , and . Journal of Computational Chemistry, 37 (3): 354-365 (2016)Orthogonal sampling in free-energy calculations of residue mutations in a tripeptide: TI versus λ-LEUS., and . Journal of Computational Chemistry, 36 (22): 1686-1697 (2015)Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes, , , , , , , and . Journal of Chemical Theory and Computation, 16 (12): 7525--7555 (2020)