CHARMM fluctuating charge force field fo
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Sandeep Patel; Alexander D. Mackerell Jr.; Charles L. Brooks III
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Article
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2004
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John Wiley and Sons
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English
β 416 KB
π 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 TIP4PβFQ potential. The proteins include 1FSV, 1ENH, 1PGB, 1VII, 1H8K, and 1CRN, representing both helical and Ξ²βsheet secondary s