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Molecular mechanics for zinc complexes with fluctuating atomic charges

✍ Scribed by Ulrich Sternberg; Frank-Thomas Koch; Michael Bräuer; Michael Kunert; Ernst Anders

Book ID
106240809
Publisher
Springer-Verlag
Year
2001
Tongue
English
Weight
161 KB
Volume
7
Category
Article
ISSN
1610-2940

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Fluctuating charge normal modes: An algo
Fluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable potentials
✍ L. Renee Olano; Steven W. Rick 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 124 KB

## Abstract A new method for performing molecular dynamics simulations with fluctuating charge polarizable potentials is introduced. In fluctuating charge models, polarizability is treated by allowing the partial charges to be variables, with values that are coupled to charges on the same molecule