"MCCE2: Improving protein pKa calculations with extensive ..."

Yifan Song, Junjun Mao, Marilyn R. Gunner (2009)

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DOI: 10.1002/JCC.21222

access: closed

type: Journal Article

metadata version: 2020-04-16

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Yifan Song, Junjun Mao, Marilyn R. Gunner:
MCCE2: Improving protein pK_a calculations with extensive side chain rotamer sampling. J. Comput. Chem. 30(14): 2231-2247 (2009)

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