Tang, Khanh G.

ZINC-22─A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery

Tingle, B. I., Tang, K. G., Castanon, M., Gutierrez, J. J., Khurelbaatar, M., Dandarchuluun, C., Moroz, Y. S., & Irwin, J. J. (2023) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 314

DockOpt: A Tool for Automatic Optimization of Docking Models

Knight, I., Tang, K., Mailhot, O., & Irwin, J. (2023) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 6