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

Stevenson, Garrett A; Kirshner, Dan; Bennion, Brian J; Yang, Yue; Zhang, Xiaohua; Zemla, Adam; Torres, Marisa W; Epstein, Aidan; Jones, Derek; Kim, Hyojin; Bennett, W F Drew; Wong, Sergio E; Allen, Jonathan E; Lightstone, Felice C

Stevenson, Garrett A; Kirshner, Dan; Bennion, Brian J; Yang, Yue; Zhang, Xiaohua; Zemla, Adam; Torres, Marisa W; Epstein, Aidan; Jones, Derek; Kim, Hyojin; Bennett, W F Drew; Wong, Sergio E; Allen, Jonathan E; Lightstone, Felice C.

Affiliation

Stevenson GA; Computational Engineering Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Kirshner D; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Bennion BJ; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Yang Y; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Zhang X; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Zemla A; Global Security Computing Applications Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Torres MW; Global Security Computing Applications Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Epstein A; Global Security Computing Applications Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Jones D; Global Security Computing Applications Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Kim H; Department of Computer Science and Engineering, University of California, San Diego, La Jolla, California 92093, United States.
Bennett WFD; Center for Applied Scientific Computing, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Wong SE; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Allen JE; Biosciences and Biotechnology Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
Lightstone FC; Global Security Computing Applications Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.

J Chem Inf Model ; 63(21): 6655-6666, 2023 11 13.

Article de En | MEDLINE | ID: mdl-37847557

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: Protéome Limites: Humans Langue: En Journal: J Chem Inf Model Sujet du journal: INFORMATICA MEDICA / QUIMICA Année: 2023 Type de document: Article Pays d'affiliation: États-Unis d'Amérique Pays de publication: États-Unis d'Amérique

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