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"Modifying the OPLS-AA force field to improve hydration free energies for ..."

Zhitao Xu, Harry H. Luo, D. Peter Tieleman (2007)

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DOI: 10.1002/JCC.20560

access: closed

type: Journal Article

metadata version: 2020-05-30

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Zhitao Xu, Harry H. Luo, D. Peter Tieleman:
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. J. Comput. Chem. 28(3): 689-697 (2007)

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