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Article

Trans-cis switching mechanisms in proline analogues and their relevance for the gating of the 5-HT3 receptor.

The journal of physical chemistry. B - 3 Sept 2009

Melis Claudio, Bussi Giovanni, Lummis Sarah C R, Molteni Carla

Abstract excerpt

Trans-cis isomerization of a proline peptide bond is a potential mechanism to open the channel of the 5-HT(3) receptor. Here, we have used the metadynamics method to theoretically explore such a mechanism. We have determined the free energy surfaces in aqueous solution of a series of dipeptides of proline analogues and evaluated the free energy difference between the cis and trans isomers. These theoretical...

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Identifiers

PMID: 19663504
DOI: 10.1021/jp9046962
PMCID: PMC2733763

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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