"WaterAlignment: Identification of displaced water molecules in molecular ..."

Dab Brill et al. (2019)

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DOI: 10.1016/J.CPC.2019.06.021

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type: Journal Article

metadata version: 2020-02-21

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Dab Brill, Jason B. Giles, Ian S. Haworth, Aiichiro Nakano:
WaterAlignment: Identification of displaced water molecules in molecular docking using Jonker and Volgenant shortest path augmentation for linear assignment. Comput. Phys. Commun. 244: 324-328 (2019)

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