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Autodock Vina Software Process for Efficient Large-Scale Cognate Ligand Screening

The invention pertains to software processes, additions, and docking approaches to Autodock Vina that speeds the rate and efficiency of analyzing ligand interactions with a receptor by cognate ligands and rewards conformations in the scoring algorithm for residue interactions that are based on the biological data. The score is multiplied by a weighting...

Published: 4/8/2024 | Inventor(s): Umesh Padia, Elizabeth Geras-Raaka, Marvin Gershengorn

Keywords(s): AD3XXX, ADXXXX, Autodock, COGNATE, Cognate Ligand, Drug Screening, drug screening tool, LIGAND-BINDING, Vina, WIXXXX, WMXXXX, XJXXXX, YBXXXX

Category(s): Collaboration Sought > Collaboration, ResearchProducts > Computational models/software, Application > Consumer Products, Application > Software / Apps, Application > Research Materials