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Published in 2022 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.2c01225
Abstract: Water molecules at protein–ligand interfaces are often of significant pharmaceutical interest, owing in part to the entropy which can be released upon the displacement of an ordered water by a therapeutic compound. Protein structures may…
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Keywords:
water networks;
water sites;
water;
water molecules ... See more keywords