ArticleThe journal of physical chemistry. B2009
Trans-cis switching mechanisms in proline analogues and their relevance for the gating of the 5-HT3 receptor.
Article in The journal of physical chemistry. B, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed, 52 citations in OpenAlex.
- Structures of protein folding intermediates on the ribosome.Nature structural & molecular biology · 2026Article
- Assessment of Energy Effects DeterminingACS physical chemistry Au · 2026Article
- Force writes memory: proline isomerization as a molecular memory switch.Biochemical Society transactions · 2025Review
- An integrative characterization of proline cis and trans conformers in a disordered peptide.Biophysical journal · 2024Article
- Article
- Protein folding and unfolding: proline cis-trans isomerization at the c subunits of FProteins · 2022Article
- Design of Peptides that Fold and Self-Assemble on Graphite.Journal of chemical information and modeling · 2022Article
- Photopharmacology of Ion Channels through the Light of the Computational Microscope.International journal of molecular sciences · 2021Review
- Microsecond-timescale simulations suggest 5-HT-mediated preactivation of the 5-HTProceedings of the National Academy of Sciences of the United States of America · 2020Article
- Mutagenesis computer experiments in pentameric ligand-gated ion channels: the role of simulation tools with different resolution.Interface focus · 2019Review
- A proline switch explains kinetic heterogeneity in a coupled folding and binding reaction.Nature communications · 2018Article
- Initiation of prolyl cis-trans isomerisation in the CDR-H3 loop of an antibody in response to antigen binding.Scientific reports · 2017Article
- Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics.PLoS computational biology · 2016Review
- cis-trans-Amide isomerism of the 3,4-dehydroproline residue, the 'unpuckered' proline.Beilstein journal of organic chemistry · 2016Article
- Article
- Molecular dynamics of the proline switch and its role in Crk signaling.The journal of physical chemistry. B · 2014Article
- Insights into the binding of GABA to the insect RDL receptor from atomistic simulations: a comparison of models.Journal of computer-aided molecular design · 2014Article
- Following easy slope paths on a free energy landscape: the case study of the Trp-cage folding mechanism.Biophysical journal · 2013Article
- GABA binding to an insect GABA receptor: a molecular dynamics and mutagenesis study.Biophysical journal · 2012Article
- Quantum mechanical origin of the conformational preferences of 4-thiaproline and its S-oxides.Amino acids · 2011Article
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
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 results were then compared with data from mutagenesis experiments, in which the response of the 5-HT(3) receptor was measured when the proline at the apex of the M2-M3 transmembrane domain loop was mutated. The strong correlation between the experimental and the theoretical data supports the existence of a trans-cis proline switch for opening the 5-HT(3) receptor ion channel.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.