Articles with "apbscore" as a keyword



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Development of a New Scoring Function for Virtual Screening: APBScore

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Published in 2020 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.0c00474

Abstract: In this study, we developed a new physical-based scoring function, Atom Pair-Based Scoring function (APBScore), which includes pairwise van der Waals (VDW), electrostatic interaction, and hydrogen bond energies between the receptor and ligand. Despite the… read more here.

Keywords: apbscore; scoring functions; development new; scoring function ... See more keywords