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Article

Molecular dynamics simulations of lignin peroxidase in solution.

Biophysical journal - 1 Jun 2003

Francesca Gerini M, Roccatano Danilo, Baciocchi Enrico, Di Nola Alfredo

Abstract excerpt

The dynamical and structural properties of lignin peroxidase and its Trp171Ala mutant have been investigated in aqueous solution using molecular dynamics (MD) simulations. In both cases, the enzyme retained its overall backbone structure and all its noncovalent interactions in the course of the MD simulations. Very interestingly, the analysis of the MD trajectories showed the presence of large fluctuations in...

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Identifiers

PMID: 12770894
DOI: 10.1016/s0006-3495(03)75116-9
PMCID: PMC1302970

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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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