Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method-Reference-Cited by-同舟云学术

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

Published:2023-10-17 Issue:21 Volume:63 Page:6655-6666
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Stevenson Garrett A.¹^ORCID,Kirshner Dan²,Bennion Brian J.²,Yang Yue²,Zhang Xiaohua²,Zemla Adam³,Torres Marisa W.³,Epstein Aidan³,Jones Derek³⁴^ORCID,Kim Hyojin⁵,Bennett W. F. Drew²^ORCID,Wong Sergio E.²,Allen Jonathan E.³^ORCID,Lightstone Felice C.²

Affiliation:

1. Computational Engineering Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States

2. Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States

3. Global Security Computing Applications Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States

4. Department of Computer Science and Engineering, University of California, San Diego, La Jolla, California 92093, United States

5. Center for Applied Scientific Computing, Lawrence Livermore National Laboratory, Livermore, California 94550, United States

Funder

Lawrence Livermore National Laboratory

American Heart Association

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00722

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