High-throughput virtual screening of small molecule inhibitors for SARS-CoV-2 protein targets with deep fusion models. - Garrett A. Stevenson; Derek Jones; Hyojin Kim 001; W. F. Drew Bennett; Brian J. Bennion; Monica Borucki; Feliza Bourguet; Aidan Epstein; Magdalena Franco; Brooke Harmon; Stewart He; Max P. Katz; et al. (SC, 2021)

Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump. - Kevin McLoughlin; Claire G. Jeong; Thomas D. Sweitzer; Amanda J. Minnich; Margaret Tse; Brian J. Bennion; Jonathan E. Allen; Stacie Calad-Thomson; Tom Rush; Jim Brase (J. Chem. Inf. Model., 2021)

Evaluating Point-Prediction Uncertainties in Neural Networks for Drug Discovery. - Ya Ju Fan; Jonathan E. Allen; Kevin S. McLoughlin; Da Shi; Brian J. Bennion; Xiaohua Zhang; Felice C. Lightstone (CoRR, 2022)

OFraMP: a fragment-based tool to facilitate the parametrization of large molecules. - Martin Stroet; Bertrand Caron; Martin S. Engler; Jimi van der Woning; Aude Kauffmann; Marc van Dijk; Mohammed El-Kebir; Koen Visscher; Josef Holownia; Callum Macfarlane; Brian J. Bennion; Svetlana Gelpi-Dominguez; et al. (J. Comput. Aided Mol. Des., 2023)

Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method. - Garrett A. Stevenson; Dan Kirshner 001; Brian J. Bennion; Yue Yang; Xiaohua Zhang; Adam T. Zemla; Marisa W. Torres; Aidan Epstein; Derek Jones; Hyojin Kim 001; W. F. Drew Bennett; Sergio Ernesto Wong; et al. (J. Chem. Inf. Model., 2023)