Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach
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چکیده
منابع مشابه
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach
Ligand docking to flexible protein molecules can be efficiently carried out through ensemble docking to multiple protein conformations, either from experimental X-ray structures or from in silico simulations. The success of ensemble docking often requires the careful selection of complementary protein conformations, through docking and scoring of known co-crystallized ligands. False positives, ...
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ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2017
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-017-0058-x