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Accounting for conformational entropy in predicting binding free energies of protein-protein interactions.

Proteins - 1 Feb 2011

Kamisetty Hetunandan, Ramanathan Arvind, Bailey-Kellogg Chris, Langmead Christopher James

Abstract excerpt

Protein-protein interactions are governed by the change in free energy upon binding, ΔG = ΔH - TΔS. These interactions are often marginally stable, so one must examine the balance between the change in enthalpy, ΔH, and the change in entropy, ΔS, when investigating known complexes, characterizing the effects of mutations, or designing optimized variants. To perform a large-scale study into the contribution of...

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PMID: 21120864
DOI: 10.1002/prot.22894

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

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