Balius, Trent E.

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

A practical guide to large-scale docking

Bender, B. J., Gahbauer, S., Luttens, A., Lyu, J., Webb, C. M., Stein, R. M., Fink, E. A., Balius, T. E., Carlsson, J., Irwin, J. J., et al. (2021) · Nature Protocols

Computational Drug Discovery MethodsReceptor Mechanisms and Signaling

Cited by 546

The small molecule BI-2852 induces a nonfunctional dimer of KRAS

Tran, T. H., Alexander, P., Dharmaiah, S., Agamasu, C., Nissley, D. V., McCormick, F., Esposito, D., Simanshu, D. K., Stephen, A. G., & Balius, T. E. (2020) · Proceedings of the National Academy of Sciences

Protein Kinase Regulation and GTPase SignalingReceptor Mechanisms and Signaling

Cited by 65

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