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Modern Charge-Density Analysis || A Generic Force Field Based on Quantum Chemical Topology

✍ Scribed by Gatti, Carlo; Macchi, Piero

Book ID
120033327
Publisher
Springer Netherlands
Year
2011
Weight
328 KB
Category
Article
ISBN
9048138361

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A point-charge force field for molecular
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✍ Yong Duan; Chun Wu; Shibasish Chowdhury; Mathew C. Lee; Guoming Xiong; Wei Zhang πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 505 KB

## 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