CVFF force field
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The consistent valence force-field (CVFF) [1] was parameterised with a view to simulating protein structures.
Functional form[edit]
Parameters[edit]
References[edit]
- ↑ Pnina Dauber-Osguthorpe, Victoria A. Roberts, David J. Osguthorpe, Jon Wolff, Moniqe Genest, Arnold T. Hagler "Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system", Proteins: Structure, Function, and Genetics 4 pp. 31-47 (1988)