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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.
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 in En | MEDLINE | ID: mdl-37847557
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Proteome Limits: Humans Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Type: Article Affiliation country: United States
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Proteome Limits: Humans Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Type: Article Affiliation country: United States