Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method.

Aidan Epstein

Garrett A. Stevenson Dan Kirshner 0001 Brian J. Bennion Yue Yang 0034 Xiaohua Zhang Adam T. Zemla Marisa W. Torres Aidan Epstein Derek Jones Hyojin Kim 0001 W. F. Drew Bennett Sergio Ernesto Wong Jonathan E. Allen Felice C. Lightstone Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method. 6655-6666 2023 November 63 J. Chem. Inf. Model. 21 https://doi.org/10.1021/acs.jcim.3c00722 db/journals/jcisd/jcisd63.html#StevensonKBYZZTEJKBWAL23

Garrett A. Stevenson Derek Jones Hyojin Kim 0001 W. F. Drew Bennett Brian J. Bennion Monica Borucki Feliza Bourguet Aidan Epstein Magdalena Franco Brooke Harmon Stewart He Max P. Katz Daniel A. Kirshner Victoria Lao Edmond Y. Lau Jacky Lo Kevin McLoughlin Richard Mosesso Deepa K. Murugesh Oscar A. Negrete Edwin A. Saada Brent Segelke Maxwell Stefan Marisa W. Torres Dina Weilhammer Sergio Ernesto Wong Yue Yang 0034 Adam T. Zemla Xiaohua Zhang Fangqiang Zhu Felice C. Lightstone Jonathan E. Allen High-throughput virtual screening of small molecule inhibitors for SARS-CoV-2 protein targets with deep fusion models. 74 2021 SC https://doi.org/10.1145/3458817.3476193 https://ieeexplore.ieee.org/document/9910141 https://www.wikidata.org/entity/Q130992717 conf/sc/2021 db/conf/sc/sc2021.html#StevensonJKBBBB21

Garrett A. Stevenson Derek Jones Hyojin Kim 0001 W. F. Drew Bennett Brian J. Bennion Monica Borucki Feliza Bourguet Aidan Epstein Magdalena Franco Brooke Harmon Stewart He Max P. Katz Daniel A. Kirshner Victoria Lao Edmond Y. Lau Jacky Lo Kevin McLoughlin Richard Mosesso Deepa K. Murugesh Oscar A. Negrete Edwin A. Saada Brent Segelke Maxwell Stefan Marisa W. Torres Dina Weilhammer Sergio Ernesto Wong Yue Yang 0034 Adam T. Zemla Xiaohua Zhang Fangqiang Zhu Felice C. Lightstone Jonathan E. Allen High-Throughput Virtual Screening of Small Molecule Inhibitors for SARS-CoV-2 Protein Targets with Deep Fusion Models. 2021 abs/2104.04547 CoRR https://arxiv.org/abs/2104.04547 db/journals/corr/corr2104.html#abs-2104-04547

Jonathan E. Allen W. F. Drew Bennett Brian J. Bennion Monica Borucki Feliza Bourguet Magdalena Franco Brooke Harmon Stewart He Derek Jones Max P. Katz Hyojin Kim 0001 Daniel A. KirshnerDan Kirshner 0001 Victoria Lao Edmond Y. Lau Felice C. Lightstone Jacky Lo Kevin McLoughlin Richard Mosesso Deepa K. Murugesh Oscar A. Negrete Edwin A. Saada Brent Segelke Maxwell Stefan Garrett StevensonGarrett A. Stevenson Marisa W. Torres Dina Weilhammer Sergio Ernesto Wong Yue Yang 0034 Adam T. Zemla Xiaohua Zhang Fangqiang Zhu