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CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

✍ Scribed by Vanommeslaeghe, K.; MacKerell, A.D.

Book ID
126867712
Publisher
Elsevier Science
Year
2015
Tongue
English
Weight
464 KB
Volume
1850
Category
Article
ISSN
0304-4165

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πŸ“œ SIMILAR VOLUMES

CHARMM general force field: A force fiel
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
✍ K. Vanommeslaeghe; E. Hatcher; C. Acharya; S. Kundu; S. Zhong; J. Shim; E. Daria πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 643 KB

## Abstract The widely used CHARMM additive all‐atom force field includes parameters for proteins, nucleic acids, lipids, and carbohydrates. In the present article, an extension of the CHARMM force field to drug‐like molecules is presented. The resulting CHARMM General Force Field (CGenFF) covers a