Molecular electrostatic potential and volume-aided drug design based on an isoindolinone-containing cyclopeptide S-PK6
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DOI: 10.1039/d3nj01202f
Abstract: Electrostatic and shape complementarity plays an important role in protein-ligand and protein-protein interactions (PPIs). Appropriate molecular volume and reasonable electrostatic potential distribution (EPD) should be helpful for molecular binding and... read more here.
Keywords: molecular electrostatic; aided drug; electrostatic potential; volume ... See more keywords