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Releases: CCBatIIT/AlGDock

Published version of algorithms

04 Apr 23:49
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A refactored version of the code used in the following paper:

Minh, D. D. L. Alchemical Grid Dock (AlGDock): Binding Free Energy Calculations between Flexible Ligands and Rigid Receptors. Journal of Computational Chemistry 2020, 41 (7), 715–730. https://doi.org/10.1002/jcc.26036.