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CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.

Sandeep PatelAlexander D. MacKerell Jr.Charles L. Brooks III
Published in: J. Comput. Chem. (2004)
Keyphrases
  • force field
  • protein structure
  • fine grained
  • energy function
  • protein sequences
  • amino acids