Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design
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DOI: 10.1021/acs.jcim.2c01212
Abstract: Bioisosteres are molecules that differ in substituents but still have very similar shapes. Bioisosteric replacements are ubiquitous in modern drug design, where they are used to alter metabolism, change bioavailability, or modify activity of the… read more here.
Keywords: cluster approach; quantum mechanical; drug design; mechanical cluster ... See more keywords