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Drug Discovery Today
Allosteric modulators have the potential to fine-tune protein functional activity. Therefore, the targeting of allosteric sites, as a strategy in drug design, is gaining increasing attention. Currently, it is not trivial to find and characterize new allosteric sites by experimental approaches. Alternatively, computational approaches are useful in helping researchers analyze and select potential allosteric sites for drug discovery. Here, we review state-of-the-art computational approachesdoi:10.1016/j.drudis.2014.07.012 pmid:25107670 fatcat:246n7yf3jbcbbmaglng24veu5a