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Article

Free energy landscapes of a highly structured beta-hairpin peptide and its single mutant.

The Journal of chemical physics - 28 Oct 2008

Kim Eunae, Yang Changwon, Jang Soonmin, Pak Youngshang

Abstract excerpt

We investigated the free energy landscapes of a highly structured beta-hairpin peptide (MBH12) and a less structured peptide with a single mutation of Tyr6 to Asp6 (MBH10). For the free energy mapping, starting from an extended conformation, the replica exchange molecular dynamic simulations for two beta-hairpins were performed using a modified version of an all-atom force field employing an implicit solvation...

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PMID: 19045319
DOI: 10.1063/1.3000009

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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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