Open AccessPose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel–Ligand Docking
Author(s) -
Heesung Shim,
Hyojin Kim,
Jonathan Allen,
Heike Wulff
Publication year - 2022
Publication title -
journal of chemical information and modeling
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.24
H-Index - 160
eISSN - 1549-960X
pISSN - 1549-9596
DOI - 10.1021/acs.jcim.1c01510
Subject(s) - virtual screening , docking (animal) , computer science , convolutional neural network , drug discovery , artificial intelligence , chemical database , protein–ligand docking , machine learning , autodock , protein data bank , data mining , protein structure , bioinformatics , chemistry , biology , in silico , medicine , biochemistry , nursing , gene
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