Singh, Isha

Ultra-large library docking for discovering new chemotypes

Lyu, J., Wang, S., Balius, T. E., Singh, I., Levit, A., Moroz, Y. S., O’Meara, M. J., Che, T., Algaa, E., Tolmachova, K., et al. (2019) · Nature

Computational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds

Cited by 998

Energy Penalties Enhance Flexible Receptor Docking in a Model Cavity

Kamenik, A. S., Singh, I., Lak, P., Balius, T. E., Liedl, K. R., & Shoichet, B. K. (2021) · Proceedings of the National Academy of Sciences

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 32

Energy penalties enhance flexible receptor docking in a model cavity

Kamenik, A. S., Singh, I., Lak, P., Balius, T. E., Liedl, K. R., & Shoichet, B. K. (2021) · Proceedings of the National Academy of Sciences

Computational Drug Discovery MethodsProtein Structure and Dynamics

Cited by 32