PeptoGrid—Rescoring Function for AutoDock Vina to Identify New Bioactive Molecules from Short Peptide Libraries
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DOI: 10.3390/molecules24020277
Abstract: Peptides are promising drug candidates due to high specificity and standout safety. Identification of bioactive peptides de novo using molecular docking is a widely used approach. However, current scoring functions are poorly optimized for peptide… read more here.
Keywords: autodock vina; peptogrid rescoring; peptide; peptide libraries ... See more keywords