## Abstract The polarizable empirical CHARMM force field based on the classical Drude oscillator has been extended to the nitrogen‐containing heteroaromatic compounds pyridine, pyrimidine, pyrrole, imidazole, indole, and purine. Initial parameters for the six‐membered rings were based on benzene wi
✦ LIBER ✦
Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator
✍ Scribed by Anisimov, Victor M.; Lamoureux, Guillaume; Vorobyov, Igor V.; Huang, Niu; Roux, Benoît; MacKerell, Alexander D.
- Book ID
- 118748014
- Publisher
- American Chemical Society
- Year
- 2004
- Tongue
- English
- Weight
- 261 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1549-9618
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