## Abstract Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a third‐generation point‐charge all‐atom force field for proteins. Following the earlier approach of Cornell et al., the charge set was obtaine
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
✍ Scribed by Yong Duan; Chun Wu; Shibasish Chowdhury; Mathew C. Lee; Guoming Xiong; Wei Zhang; Rong Yang; Piotr Cieplak; Ray Luo; Taisung Lee; James Caldwell; Junmei Wang; Peter Kollman
- Publisher
- John Wiley and Sons
- Year
- 2003
- Tongue
- English
- Weight
- 505 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0192-8651
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