Emerging Computational Methods for the Rational Discovery of Allosteric Drugs


Allosteric drug development holds promise for delivering medicines that are more selective and less toxic than those that target orthosteric sites. To date, the discovery of allosteric binding sites and lead compounds has been mostly serendipitous, achieved through high-throughput screening. Over the past decade, structural data has become more readily… (More)
DOI: 10.1021/acs.chemrev.5b00631


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