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Article

A fast estimate of electrostatic group contributions to the free energy of protein-inhibitor binding.

Protein engineering - 1 Dec 1997

Muegge I, Tao H, Warshel A

Abstract excerpt

Dissecting ligand-protein binding free energies in individual contributions of protein residues (which are referred to here as 'group contributions') is of significant importance. For example, such contributions could help in estimating the corresponding mutational effects and in studies of drug resistance problems. However, the meaning of group contributions is not always uniquely defined and the approximations...

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PMID: 9542997
DOI: 10.1093/protein/10.12.1363

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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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