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Article

Probing the effect of point mutations at protein-protein interfaces with free energy calculations.

Biophysical journal - 15 Jan 2006

Almlöf Martin, Aqvist Johan, Smalås Arne O, Brandsdal Bjørn O

Abstract excerpt

We have studied the effect of point mutations of the primary binding residue (P1) at the protein-protein interface in complexes of chymotrypsin and elastase with the third domain of the turkey ovomucoid inhibitor and in trypsin with the bovine pancreatic trypsin inhibitor, using molecular dynamics simulations combined with the linear interaction energy (LIE) approach. A total of 56 mutants have been constructed...

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Identifiers

PMID: 16272444
DOI: 10.1529/biophysj.105.073239
PMCID: PMC1367050

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

Source receipt: pubmed, retrieved 7 Sept 2026.

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