Dynamic Docking of Macrocycles in Bound and Unbound Protein Structures with DynaDock
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DOI: 10.1021/acs.jcim.2c00436
Abstract: Macrocycles are interesting molecules with unique features due to their conformationally constrained yet flexible ring structure. This characteristic poses a difficult challenge for computational modeling studies since they rely on accurate structural descriptions. In particular,… read more here.
Keywords: unbound protein; protein structures; bound unbound; dynamic docking ... See more keywords