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A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

✍ Scribed by Patel, Sandeep; Brooks, Charles L.


Book ID
111686933
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
519 KB
Volume
122
Category
Article
ISSN
0021-9606

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CHARMM fluctuating charge force field fo
✍ Sandeep Patel; Alexander D. Mackerell Jr.; Charles L. Brooks III πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 416 KB πŸ‘ 1 views

## Abstract A fluctuating charge (FQ) force field is applied to molecular dynamics simulations for six small proteins in explicit polarizable solvent represented by the TIP4P‐FQ potential. The proteins include 1FSV, 1ENH, 1PGB, 1VII, 1H8K, and 1CRN, representing both helical and β‐sheet secondary s