Modifying the OPLS‐AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off‐plane charge model for aromatic residues
作者： Zhitao Xu , Harry H. Luo , D. Peter Tieleman
DOI: 10.1002/JCC.20560
关键词:
摘要: … We have attempted to improve the hydration energies for … The resulting differences between calculated hydration free … This model results in an improved free energy of hydration for Trp …
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