Comparative Evaluation of Covalent Docking Tools
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DOI: 10.1021/acs.jcim.8b00228
Abstract: Increased interest in covalent drug discovery led to the development of computer programs predicting binding mode and affinity of covalent inhibitors. Here we compare the performance of six covalent docking tools, AutoDock4, CovDock, FITTED, GOLD,… read more here.
Keywords: covalent docking; covalent; performance; binding mode ... See more keywords
Systematic Studies on the Protocol and Criteria for Selecting a Covalent Docking Tool
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DOI: 10.3390/molecules24112183
Abstract: With the resurgence of drugs with covalent binding mechanisms, much attention has been paid to docking methods for the discovery of targeted covalent inhibitors. The existence of many available covalent docking tools has inspired development… read more here.
Keywords: studies protocol; systematic studies; tool; covalent docking ... See more keywords