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Article

Molecular dynamics simulations as a tool for improving protein stability.

Protein engineering - 1 Mar 2002

Pikkemaat Mariël G, Linssen Antonius B M, Berendsen Herman J C, Janssen Dick B

Abstract excerpt

Haloalkane dehalogenase (DhlA) was used as a model protein to explore the possibility to use molecular dynamics (MD) simulations as a tool to identify flexible regions in proteins that can serve as a target for stability enhancement by introduction of a disulfide bond. DhlA consists of two domains: an alpha/beta-hydrolase fold main domain and a cap domain composed of five alpha-helices. MD simulations of DhlA...

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Identifiers

PMID: 11932489
DOI: 10.1093/protein/15.3.185

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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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