MD-Based Assessment of Covalent Inhibitors in Noncovalent Association Complexes: Learning from Cathepsin K as a Test Case
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DOI: 10.1021/acs.jcim.3c00061
Abstract: A sufficiently stable noncovalent association complex between a covalent inhibitor and its protein target is regarded as a prerequisite for the formation of a covalent complex. As this transient form can hardly be assessed experimentally,… read more here.
Keywords: cathepsin; covalent inhibitors; covalent; based assessment ... See more keywords