WaterAlignment: Identification of displaced water molecules in molecular docking using Jonker and Volgenant shortest path augmentation for linear assignment.

Tue, 01 Jan 2019 00:00:00 +0100

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)