Identification of Protein–Ligand Binding Sites by the Level-Set Variational Implicit-Solvent Approach
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چکیده
منابع مشابه
Identification of Protein–Ligand Binding Sites by the Level-Set Variational Implicit-Solvent Approach
Protein–ligand binding is a key biological process at the molecular level. The identification and characterization of small-molecule binding sites on therapeutically relevant proteins have tremendous implications for target evaluation and rational drug design. In this work, we used the recently developed level-set variational implicit-solvent model (VISM) with the Coulomb field approximation (C...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2015
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct500867u