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Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry

✍ Scribed by Kaminski, George A.; Stern, Harry A.; Berne, B. J.; Friesner, Richard A.


Book ID
120806520
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
74 KB
Volume
108
Category
Article
ISSN
1089-5639

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Development of a polarizable force field
✍ George A. Kaminski; Harry A. Stern; B. J. Berne; Richard A. Friesner; Yixiang X. πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 186 KB πŸ‘ 1 views

## Abstract We present results of developing a methodology suitable for producing molecular mechanics force fields with explicit treatment of electrostatic polarization for proteins and other molecular system of biological interest. The technique allows simulation of realistic‐size systems. Employi