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Published in 2017 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.6b00769
Abstract: The success of fragment-based drug design (FBDD) hinges upon the optimization of low-molecular-weight compounds (MW < 300 Da) with weak binding affinities to lead compounds with high affinity and selectivity. Usually, structural information from fragment-protein…
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Keywords:
information;
crystallization additives;
binding modes;
drug ... See more keywords