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Pan et al., 2022 - Google Patents

AA-score: a new scoring function based on amino acid-specific interaction for molecular docking

Pan et al., 2022

Document ID
8799316042959701960
Author
Pan X
Wang H
Zhang Y
Wang X
Li C
Ji C
Zhang J
Publication year
Publication venue
Journal of Chemical Information and Modeling

External Links

Snippet

The protein–ligand scoring function plays an important role in computer-aided drug discovery and is heavily used in virtual screening and lead optimization. In this study, we developed a new empirical protein–ligand scoring function with amino acid-specific …
Continue reading at pubs.acs.org (other versions)

Classifications

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    • G06F19/16—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for molecular structure, e.g. structure alignment, structural or functional relations, protein folding, domain topologies, drug targeting using structure data, involving two-dimensional or three-dimensional structures
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