A benzene-mapping approach for uncovering cryptic pockets in membrane-bound proteins.
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DOI: 10.1021/acs.jctc.0c00370
Abstract: Molecular dynamics (MD) simulations in combination with small organic probes present in the solvent have previously been used as a method to reveal cryptic pockets that may not have been identified in experimental structures. We… read more here.
Keywords: protein; benzene mapping; membrane embedded; membrane ... See more keywords