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Article

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)...

Topics

Amino Acid Sequence
Computer Simulation
Ethane
Hydrogen Bonding
Methanol
Molecular Sequence Data
Monte Carlo Method
Mutation
Protein Conformation
Protein Engineering
Proteins
Thermodynamics
Threonine

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Identifiers

PMID: 2112248
DOI: 10.1093/protein/3.5.419

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 30 Aug 2026. Prepared record publication-2112248-2026-08-30.1. Manifest publication-graph-cohort-2026-08-30.1.

Source receipt: PubMed via Helena Literature Corpus, retrieved 30 Aug 2026.

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