Binding Affinity Prediction by Pairwise Function Based on Neural Network.

Zhu, Fangqiang; Zhang, Xiaohua; Allen, Jonathan E; Jones, Derek; Lightstone, Felice C

Zhu, Fangqiang; Zhang, Xiaohua; Allen, Jonathan E; Jones, Derek; Lightstone, Felice C.

Affiliation

Zhu F; Biochemical and Biophysical Systems Group, Biosciences and Biotechnology Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States.
Zhang X; Biochemical and Biophysical Systems Group, Biosciences and Biotechnology Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States.
Allen JE; Global Security, Computing Applications Division, Computing Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States.
Jones D; Global Security, Computing Applications Division, Computing Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States.
Lightstone FC; Biochemical and Biophysical Systems Group, Biosciences and Biotechnology Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, United States.

J Chem Inf Model ; 60(6): 2766-2772, 2020 06 22.

Article in En | MEDLINE | ID: mdl-32338892

Subject(s)

Drug Design; Neural Networks, Computer; Ligands; Molecular Docking Simulation; Protein Binding

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Drug Design / Neural Networks, Computer Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2020 Type: Article Affiliation country: United States

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