𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

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


Book ID
118058680
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
527 KB
Volume
52
Category
Article
ISSN
0095-2338

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


CHARMM general force field: A force fiel
✍ 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