Binding site matching in rational drug design: algorithms and applications
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DOI: 10.1093/bib/bby078
Abstract: Interactions between proteins and small molecules are critical for biological functions. These interactions often occur in small cavities within protein structures, known as ligand-binding pockets. Understanding the physicochemical qualities of binding pockets is essential to… read more here.
Keywords: site matching; binding site; drug; rational drug ... See more keywords