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Free energy changes associated with amino acid substitution in proteins.

Protein engineering - 1 Apr 1990

Saqi M A, Goodfellow J M

Abstract excerpt

The estimation of free energy differences from computer simulation of macromolecular systems is important for rational strategies for drug design and for protein engineering. As an example of one mutation, we have studied the free energy change resulting from the conversion of a polar group (OH) to an apolar group (CH3) in aqueous solution. We have estimated the effect of various local environments on the...

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PMID: 2112248
DOI: 10.1093/protein/3.5.419

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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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