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Validation of the GROMOS force-field parameter set 45A3 against nuclear magnetic resonance data of hen egg lysozyme

โœ Scribed by T. A. Soares; X. Daura; C. Oostenbrink; L. J. Smith; W. F. Gunsteren

Book ID
106401079
Publisher
Springer Netherlands
Year
2004
Tongue
English
Weight
583 KB
Volume
30
Category
Article
ISSN
0925-2738

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Biomolecular force fields for use in molecular dynamics (MD) simulations of proteins, DNA, or membranes are generally parametrized against ab initio quantum-chemical and experimental data for small molecules. The application of a force field in a simulation of a biomolecular system, such as a protei