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Article

Characterization of the conformational space of a triple-stranded beta-sheet forming peptide with molecular dynamics simulations.

Proteins - 1 Dec 2004

Soto Patricia, Colombo Giorgio

Abstract excerpt

Molecular dynamics (MD) simulations have been performed on a series of mutants of the 20 amino acid peptide Betanova in order to critically assess the ability of MD simulations to reproduce the folding and stability of small beta-sheet-forming peptides on currently accessible timescales. Simulations were performed in both water and in 40% methanol solution, using an explicit solvent model. The simulations suggest...

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PMID: 15390268
DOI: 10.1002/prot.20236

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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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