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Article

Energetic contributions of amino acid residues and its cross-talk to delineate ligand-binding mechanism.

Proteins - 1 Sept 2020

Kumar Sivakumar Prasanth, Patel Chirag N, Rawal Rakesh M, Pandya Himanshu A

Abstract excerpt

Receptor-based QSAR approaches can enumerate the energetic contributions of amino acid residues toward ligand binding only when experimental binding affinity is associated. The structural data of protein-ligand complexes are witnessing a tremendous growth in the Protein Data Bank deposited with a few entries on binding affinity. We present here a new approach to compute the Energetic CONTributions of Amino acid...

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PMID: 32323374
DOI: 10.1002/prot.25894

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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