{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Kasimova MA"],"funding":["Division of Advanced Cyberinfrastructure","NIH Office of the Director","NINDS NIH HHS","National Institute of General Medical Sciences","NIGMS NIH HHS","NIH HHS"],"pagination":["1260-1264"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6310152"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["9(6)"],"pubmed_abstract":["The nonselective cation channel TRPV1 is responsible for transducing noxious stimuli into action potentials propagating through peripheral nerves. It is activated by temperatures greater than 43 °C, while remaining completely nonconductive at temperatures lower than this threshold. The origin of this sharp response, which makes TRPV1 a biological temperature sensor, is not understood. Here we used molecular dynamics simulations and free energy calculations to characterize the molecular determinants of the transition between nonconductive and conductive states. We found that hydration of the pore and thus ion permeation depends critically on the polar character of its molecular surface: in this narrow hydrophobic enclosure, the motion of a polar side-chain is sufficient to stabilize either "],"journal":["The journal of physical chemistry letters"],"pubmed_title":["Ion Channel Sensing: Are Fluctuations the Crux of the Matter?"],"pmcid":["PMC6310152"],"funding_grant_id":["R01 GM131048","R01 NS055159","S10 OD020095","S10OD020095","P01GM055876","ACI-1614804","P01 GM055876","R01 GM093290","R01GM093290"],"pubmed_authors":["Kasimova MA","Carnevale V","Yudin Y","Yazici A","Granata D","Klein ML","Rohacs T"],"additional_accession":[]},"is_claimable":false,"name":"Ion Channel Sensing: Are Fluctuations the Crux of the Matter?","description":"The nonselective cation channel TRPV1 is responsible for transducing noxious stimuli into action potentials propagating through peripheral nerves. It is activated by temperatures greater than 43 °C, while remaining completely nonconductive at temperatures lower than this threshold. The origin of this sharp response, which makes TRPV1 a biological temperature sensor, is not understood. Here we used molecular dynamics simulations and free energy calculations to characterize the molecular determinants of the transition between nonconductive and conductive states. We found that hydration of the pore and thus ion permeation depends critically on the polar character of its molecular surface: in this narrow hydrophobic enclosure, the motion of a polar side-chain is sufficient to stabilize either ","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 Mar","modification":"2025-04-21T21:38:54.999Z","creation":"2019-08-04T08:08:46Z"},"accession":"S-EPMC6310152","cross_references":{"pubmed":["29439562"],"doi":["10.1021/acs.jpclett.7b03396"]}}