{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T16:43:09Z","timestamp":1786984989011,"version":"build-2736575974"},"reference-count":53,"publisher":"Elsevier BV","issue":"2","license":[{"start":{"date-parts":[[2013,2,1]],"date-time":"2013-02-01T00:00:00Z","timestamp":1359676800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2014,2,1]],"date-time":"2014-02-01T00:00:00Z","timestamp":1391212800000},"content-version":"vor","delay-in-days":365,"URL":"https:\/\/www.elsevier.com\/open-access\/userlicense\/1.0\/"}],"funder":[{"name":"Australian Research Council for the Discovery Early Career Researcher Award"},{"name":"National Health and Medical Council"},{"name":"NCI National Facility at the Australian National University"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Biochimica et Biophysica Acta (BBA) - Biomembranes"],"published-print":{"date-parts":[[2013,2]]},"DOI":"10.1016\/j.bbamem.2012.09.022","type":"journal-article","created":{"date-parts":[[2012,9,27]],"date-time":"2012-09-27T15:03:35Z","timestamp":1348758215000},"page":"471-478","source":"Crossref","is-referenced-by-count":14,"title":["Conductance properties of the inwardly rectifying channel, Kir3.2: Molecular and Brownian dynamics study"],"prefix":"10.1016","volume":"1828","author":[{"given":"Tamsyn A.","family":"Hilder","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shin-Ho","family":"Chung","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bbamem.2012.09.022_bb0005","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1152\/physrev.00021.2009","article-title":"Inwardly rectifying potassium channels: their structure, function, and physiological roles","volume":"90","author":"Hibino","year":"2010","journal-title":"Physiol. Rev."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0010","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1016\/j.cell.2011.07.046","article-title":"Crystal structure of the mammalian GIRK2 K+ channel and gating regulation by G proteins, PIP2, and sodium","volume":"147","author":"Whorton","year":"2011","journal-title":"Cell"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0015","doi-asserted-by":"crossref","first-page":"509","DOI":"10.1124\/pr.57.4.11","article-title":"International union of pharmacology. LIV. Nomenclature and molecular relationships of inwardly rectifying potassium channels","volume":"57","author":"Kubo","year":"2005","journal-title":"Pharmacol. Rev."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0020","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3389\/fphar.2011.00064","article-title":"Targeting GIRK channels for the development of new therapeutic agents","volume":"2","author":"Walsh","year":"2011","journal-title":"Front. Pharmacol."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0025","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1007\/s00441-002-0669-x","article-title":"Kir channels in the CNS: emerging new roles and implications for neurological diseases","volume":"311","author":"Neusch","year":"2003","journal-title":"Cell Tissue Res."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0030","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1038\/nrn2834","article-title":"Emerging roles for G protein-gated inwardly rectifying potassium (GIRK) channels in health and disease","volume":"11","author":"L\u00fcscher","year":"2010","journal-title":"Nat. Rev. Neurosci."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0035","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1016\/S0955-0674(99)80073-8","article-title":"Inwardly rectifying potassium channels","volume":"11","author":"Reimann","year":"1999","journal-title":"Curr. Opin. Cell Biol."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0040","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1016\/j.yjmcc.2009.08.013","article-title":"Cardiac strong inward rectifier potassium channels","volume":"48","author":"Anumonwo","year":"2010","journal-title":"J. Mol. Cell. Cardiol."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0045","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1085\/jgp.96.1.109","article-title":"Intrinsic gating of inward rectifier in bovine pulmonary artery endothelial cells in the presence or absence of internal Mg2+","volume":"96","author":"Silver","year":"1990","journal-title":"J. Gen. Physiol."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0050","doi-asserted-by":"crossref","first-page":"957","DOI":"10.1016\/S0092-8674(02)01227-8","article-title":"Structural basis of inward rectification: cytoplasmic pore of the G protein-gated inward rectifier GIRK1 at 1.8\u00c5 resolution","volume":"111","author":"Nishida","year":"2002","journal-title":"Cell"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0055","doi-asserted-by":"crossref","first-page":"1922","DOI":"10.1126\/science.1085028","article-title":"Crystal structure of the potassium channel KirBac1.1 in the closed state","volume":"300","author":"Kuo","year":"2003","journal-title":"Science"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0060","doi-asserted-by":"crossref","first-page":"50654","DOI":"10.1074\/jbc.M308183200","article-title":"The selectivity filter may act as the agonist-activated gate in the G protein-activated Kir3.1\/Kir3.4 K+ channel","volume":"278","author":"Claydon","year":"2003","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0065","doi-asserted-by":"crossref","first-page":"657","DOI":"10.1016\/S0896-6273(01)00241-0","article-title":"Yeast screen for constitutively active mutant G protein-activated potassium channels","volume":"29","author":"Yi","year":"2001","journal-title":"Neuron"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0070","doi-asserted-by":"crossref","first-page":"10701","DOI":"10.1021\/bi049125x","article-title":"Short variable sequence acquired in evolution enables selective inhibition of various inward-rectifier K+ channels","volume":"43","author":"Ramu","year":"2004","journal-title":"Biochemistry"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0075","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1016\/S0022-3565(24)39220-1","article-title":"Tertiapin potently and selectively blocks muscarinic K+ channels in rabbit cardiac myocytes","volume":"293","author":"Kitamura","year":"2000","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0080","doi-asserted-by":"crossref","first-page":"3643","DOI":"10.1021\/bi062210f","article-title":"Molecular dynamics simulations of inwardly rectifying (Kir) potassium channels: a comparative study","volume":"46","author":"Haider","year":"2007","journal-title":"Biochemistry"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0085","doi-asserted-by":"crossref","first-page":"2929","DOI":"10.1016\/S0006-3495(00)76833-0","article-title":"Homology modeling and molecular dynamics simulation studies of an inward rectifier potassium channel","volume":"78","author":"Capener","year":"2000","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0090","doi-asserted-by":"crossref","first-page":"628","DOI":"10.1016\/S0006-3495(02)75427-1","article-title":"Conducting-state properties of the KcsA potassium channels from molecular and Brownian dynamics simulations","volume":"82","author":"Chung","year":"2002","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0095","doi-asserted-by":"crossref","first-page":"2502","DOI":"10.1016\/S0006-3495(99)77086-4","article-title":"Molecular dynamics study of the KcsA potassium channel","volume":"77","author":"Allen","year":"1999","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0100","doi-asserted-by":"crossref","first-page":"1647","DOI":"10.1016\/j.bbapap.2006.08.007","article-title":"Modeling electrostatic effects in proteins","volume":"1764","author":"Warshel","year":"2006","journal-title":"Biochim. Biophys. Acta"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0105","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1007\/s00249-007-0218-3","article-title":"Estimating the dielectric constant of the protein and pore","volume":"37","author":"Ng","year":"2008","journal-title":"Eur. Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0110","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1002\/jcc.20289","article-title":"Scalable molecular dynamics with NAMD","volume":"26","author":"Phillips","year":"2005","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0115","doi-asserted-by":"crossref","first-page":"2671","DOI":"10.1016\/j.bpj.2011.10.045","article-title":"Permeation and block of the Kv1.2 channel examined using Brownian and molecular dynamics","volume":"101","author":"Gordon","year":"2011","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0120","doi-asserted-by":"crossref","first-page":"3654","DOI":"10.1103\/PhysRevE.58.3654","article-title":"Computer simulation of ion conductance in membrane channels","volume":"58","author":"Hoyles","year":"1998","journal-title":"Phys. Rev. E Stat. Nonlinear Soft Matter Phys."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0125","doi-asserted-by":"crossref","first-page":"1210","DOI":"10.1016\/S0006-3495(01)76097-3","article-title":"Side-chain ionization states in a potassium channel","volume":"80","author":"Ranatunga","year":"2001","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0130","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1002\/prot.10106","article-title":"Simulations of ion current in realistic models of ion channels: the KcsA potassium channel","volume":"47","author":"Burykin","year":"2002","journal-title":"Proteins"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0135","doi-asserted-by":"crossref","first-page":"649","DOI":"10.1002\/wcms.43","article-title":"First-principles prediction of acidities in the gas and solution phase","volume":"1","author":"Ho","year":"2011","journal-title":"WIREs Comput. Mol. Sci."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0140","doi-asserted-by":"crossref","first-page":"1253","DOI":"10.1021\/jp8071712","article-title":"Progress in ab initio QM\/MM free-energy simulations of electrostatic energies in proteins: accelerated QM\/MM studies of pKa, redox reactions and salvation free energies","volume":"113","author":"Kamerlin","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0145","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","article-title":"VMD: visual molecular dynamics","volume":"14","author":"Humphrey","year":"1996","journal-title":"J. Mol. Graphics"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0150","doi-asserted-by":"crossref","first-page":"1400","DOI":"10.1002\/jcc.20065","article-title":"Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations","volume":"25","author":"MacKerell","year":"2004","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0155","doi-asserted-by":"crossref","first-page":"3586","DOI":"10.1021\/jp973084f","article-title":"All-atom empirical potential for molecular modeling and dynamic studies of proteins","volume":"102","author":"MacKerell","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0160","doi-asserted-by":"crossref","first-page":"2652","DOI":"10.1016\/j.bpj.2011.10.029","article-title":"Modeling the binding of three toxins to the voltage-gated potassium channel (Kv1.3)","volume":"101","author":"Chen","year":"2011","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0165","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1002\/prot.340170203","article-title":"Solution structure of tertiapin determined using nuclear magnetic resonance and distance geometry","volume":"17","author":"Xu","year":"1993","journal-title":"Proteins"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0170","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1002\/prot.21502","article-title":"Integrating statistical pair potentials into protein complex prediction","volume":"69","author":"Mintseris","year":"2007","journal-title":"Proteins"},{"key":"10.1016\/j.bbamem.2012.09.022_rf0265","doi-asserted-by":"crossref","first-page":"1339","DOI":"10.1002\/jcc.540161104","article-title":"Multidimensional free-energy calculations using the weighted histogram analysis method","volume":"16","author":"Kumar","year":"1995","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bbamem.2012.09.022_rf0270","author":"Grossfield"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0180","doi-asserted-by":"crossref","first-page":"2577","DOI":"10.1016\/j.bpj.2008.12.3952","article-title":"Mechanism and energetic of charybdotoxin unbinding from a potassium channel from molecular dynamics simulations","volume":"96","author":"Chen","year":"2009","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0185","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1073\/pnas.2635314100","article-title":"Energetics of ion conduction through the gramicidin channel","volume":"101","author":"Allen","year":"2004","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0190","doi-asserted-by":"crossref","first-page":"4812","DOI":"10.1021\/jp300639x","article-title":"Affinity and selectivity of ShK toxin for the Kv1 potassium channels from free energy simulations","volume":"116","author":"Rashid","year":"2012","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0195","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/S0014-5793(03)01117-7","article-title":"Structure-activity relationship for extracellular block by K+ channels by tetraalkylammonium ions","volume":"554","author":"Luzhkov","year":"2003","journal-title":"FEBS Lett."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0200","doi-asserted-by":"crossref","first-page":"358","DOI":"10.1021\/ar010014p","article-title":"Ligand binding affinities from MD simulations","volume":"35","author":"\u00c5qvist","year":"2002","journal-title":"Acc. Chem. Res."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0205","doi-asserted-by":"crossref","first-page":"5833","DOI":"10.1073\/pnas.0911691107","article-title":"Principles of conduction and hydrophobic gating in K+ channels","volume":"107","author":"Jensen","year":"2010","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0210","doi-asserted-by":"crossref","first-page":"799","DOI":"10.1529\/biophysj.105.067868","article-title":"An energy-efficient gating mechanism in the acetylcholine receptor channel suggested by molecular and Brownian dynamics","volume":"90","author":"Corry","year":"2006","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0215","doi-asserted-by":"crossref","first-page":"3335","DOI":"10.1073\/pnas.1121094109","article-title":"Realistic simulation of the activation of voltage-gated ion channels","volume":"109","author":"Dryga","year":"2012","journal-title":"Proc. Natl. Acad. Sci."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0220","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1529\/biophysj.106.098954","article-title":"Conduction properties of KcsA measured using Brownian dynamics with flexible carbonyl groups in the selectivity filter","volume":"93","author":"Chung","year":"2007","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0225","doi-asserted-by":"crossref","first-page":"6542","DOI":"10.1073\/pnas.92.14.6542","article-title":"Evidence that neuronal G-protein-gated inwardly rectifying K+ channels are activated by G\u03b2\u03b3 subunits and function as heteromultimers","volume":"92","author":"Kofuji","year":"1995","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0230","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1016\/S0006-3495(02)75167-9","article-title":"Modeling diverse range of potassium channels with Brownian dynamics","volume":"83","author":"Chung","year":"2002","journal-title":"Biophys. J."},{"key":"10.1016\/j.bbamem.2012.09.022_bb0235","doi-asserted-by":"crossref","first-page":"14294","DOI":"10.1021\/bi991206j","article-title":"Mechanisms of inward-rectifier K+ channel inhibition by Tertiapin-Q","volume":"38","author":"Jin","year":"1999","journal-title":"Biochemistry"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0240","doi-asserted-by":"crossref","first-page":"774","DOI":"10.1021\/jp0350924","article-title":"Influence of artificial periodicity and ionic strength in molecular dynamics simulations of charged biomolecules employing lattice-sum methods","volume":"108","author":"Kastenholz","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0245","doi-asserted-by":"crossref","first-page":"14286","DOI":"10.1021\/bi991205r","article-title":"Synthesis of a stable form of Tertiapin: a high-affinity inhibitor for inward-rectifier K+ channels","volume":"38","author":"Jin","year":"1999","journal-title":"Biochemistry"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0250","doi-asserted-by":"crossref","first-page":"13291","DOI":"10.1021\/bi981178p","article-title":"A novel high-affinity inhibitor for inward-rectifier K+ channels","volume":"37","author":"Jin","year":"1998","journal-title":"Biochemistry"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0255","doi-asserted-by":"crossref","first-page":"412","DOI":"10.1002\/prot.10455","article-title":"Exploring the origin of the selectivity of the KcsA potassium channel","volume":"52","author":"Burykin","year":"2003","journal-title":"Proteins"},{"key":"10.1016\/j.bbamem.2012.09.022_bb0260","doi-asserted-by":"crossref","first-page":"400","DOI":"10.1002\/prot.1106","article-title":"What are the dielectric \u201cconstants\u201d of proteins and how to validate electrostatic models?","volume":"44","author":"Schutz","year":"2001","journal-title":"Proteins"}],"container-title":["Biochimica et Biophysica Acta (BBA) - Biomembranes"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0005273612003434?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0005273612003434?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,4,9]],"date-time":"2025-04-09T13:05:30Z","timestamp":1744203930000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0005273612003434"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,2]]},"references-count":53,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2013,2]]}},"alternative-id":["S0005273612003434"],"URL":"https:\/\/doi.org\/10.1016\/j.bbamem.2012.09.022","relation":{},"ISSN":["0005-2736"],"issn-type":[{"value":"0005-2736","type":"print"}],"subject":[],"published":{"date-parts":[[2013,2]]}}}