Sergei Y. Noskov, Ph.D. - Publications

Affiliations: 
Biochemistry University of Calgary, Calgary, Alberta, Canada 
Area:
computational chemistry, ion channels, statistical thermodynamics
Website:
http://www.noskovlab.com/

142 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Corradi V, Bukiya AN, Miranda WE, Cui M, Plant LD, Logothetis DE, Tieleman DP, Noskov SY, Rosenhouse-Dantsker A. A molecular switch controls the impact of cholesterol on a Kir channel. Proceedings of the National Academy of Sciences of the United States of America. 119: e2109431119. PMID 35333652 DOI: 10.1073/pnas.2109431119  0.329
2021 Wu X, Ramentol R, Perez ME, Noskov SY, Larsson HP. A second S4 movement opens hyperpolarization-activated HCN channels. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34504015 DOI: 10.1073/pnas.2102036118  0.306
2021 Yazdi S, Nikesjö J, Miranda W, Corradi V, Tieleman DP, Noskov SY, Larsson HP, Liin SI. Identification of PUFA interaction sites on the cardiac potassium channel KCNQ1. The Journal of General Physiology. 153. PMID 33939797 DOI: 10.1085/jgp.202012850  0.332
2021 Miranda WE, Guo J, Mesa-Galloso H, Corradi V, Lees-Miller JP, Tieleman DP, Duff HJ, Noskov SY. Lipid regulation of hERG1 channel function. Nature Communications. 12: 1409. PMID 33658490 DOI: 10.1038/s41467-021-21681-8  0.402
2021 Ngo V, Li H, MacKerell AD, Allen TW, Roux B, Noskov S. Polarization Effects in Water-Mediated Selective Cation Transport across a Narrow Transmembrane Channel. Journal of Chemical Theory and Computation. PMID 33539082 DOI: 10.1021/acs.jctc.0c00968  0.686
2020 Kudaibergenova M, Guo J, Khan HM, Zahid F, Lees-Miller J, Noskov SY, Duff HJ. Allosteric Coupling Between Drug Binding and the Aromatic Cassette in the Pore Domain of the hERG1 Channel: Implications for a State-Dependent Blockade. Frontiers in Pharmacology. 11: 914. PMID 32694995 DOI: 10.3389/Fphar.2020.00914  0.458
2020 Zhekova HR, Sakuma T, Johnson R, Concilio SC, Lech PJ, Zdravkovic I, Damergi M, Suksanpaisan L, Peng KW, Russell S, Noskov SY. Mapping of Ion and Substrate Binding Sites in human Sodium Iodide Symporter (hNIS). Journal of Chemical Information and Modeling. PMID 32134653 DOI: 10.1021/Acs.Jcim.9B01114  0.407
2020 Yang PC, DeMarco KR, Aghasafari P, Jeng MT, Dawson JR, Bekker S, Noskov S, Yarov-Yarovoy V, Vorobyov I, Clancy CE. A Computational Pipeline to Predict Cardiotoxicity:From the Atom to the Rhythm. Circulation Research. PMID 32091972 DOI: 10.1161/Circresaha.119.316404  0.376
2020 Miranda WE, DeMarco KR, Guo J, Duff HJ, Vorobyov I, Clancy CE, Noskov SY. Selectivity filter modalities and rapid inactivation of the hERG1 channel. Proceedings of the National Academy of Sciences of the United States of America. PMID 31980532 DOI: 10.1073/Pnas.1909196117  0.458
2020 Zhang Y, Haider K, Kaur D, Ngo VA, Cai X, Mao J, Khaniya U, Zhu X, Noskov S, Lazaridis T, Gunner MR. Characterizing the water wire in the Gramicidin channel found by Monte Carlo sampling using continuum electrostatics and in molecular dynamics trajectories with conventional or polarizable force fields Journal of Theoretical and Computational Chemistry. 2042001. DOI: 10.1142/S0219633620420018  0.384
2020 Amodeo GF, Lee BY, Krilyuk N, Filice CT, Valyuk D, Otzen DE, Noskov SY, Leonenko Z, Pavlov EV. C Subunit of the ATP Synthase is an Amyloidogenic Channel-Forming Peptide: Possible Implications in Mitochondrial Pathogenesis Biophysical Journal. 118. DOI: 10.1016/J.Bpj.2019.11.2487  0.322
2020 Queralt-Martin M, Ngo VA, Bergdoll LA, Abramson J, Hoogerheide DP, Rostovtseva TK, Bezrukov SM, Noskov SY. Solving the Gating Mechanism of the Mitochondrial β-Barrel Metabolite Channel VDAC Biophysical Journal. 118: 269a. DOI: 10.1016/J.Bpj.2019.11.1553  0.359
2019 Wang Y, Finol-Urdaneta RK, Ngo VA, French RJ, Noskov SY. Author Correction: Bases of Bacterial Sodium Channel Selectivity Among Organic Cations. Scientific Reports. 9: 18992. PMID 31813931 DOI: 10.1038/S41598-019-55306-4  0.591
2019 Wang Y, Finol-Urdaneta RK, Ngo VA, French RJ, Noskov SY. Bases of Bacterial Sodium Channel Selectivity Among Organic Cations. Scientific Reports. 9: 15260. PMID 31649292 DOI: 10.1038/S41598-019-51605-Y  0.658
2019 Corradi V, Sejdiu BI, Mesa-Galloso H, Abdizadeh H, Noskov SY, Marrink SJ, Tieleman DP. Emerging Diversity in Lipid-Protein Interactions. Chemical Reviews. PMID 30758191 DOI: 10.1021/Acs.Chemrev.8B00451  0.304
2019 Dawson JR, DeMarco KR, Bekker B, Noskov SY, Clancy CE, Vorobyov IV. In Silico Determination of Open Conducting and Inactivated Atomistic KV11.1 Channel Models Biophysical Journal. 116: 103a. DOI: 10.1016/J.Bpj.2018.11.591  0.445
2019 Amin KS, Rostovtseva TK, Bezrukov SM, Noskov SY, Ngo V. State-Dependence of Ion and ATP Transport in VDAC1 Protein Investigated with GCMC/BD Simulations Biophysical Journal. 116. DOI: 10.1016/J.Bpj.2018.11.2152  0.358
2018 Hoogerheide DP, Noskov SY, Kuszak AJ, Buchanan SK, Rostovtseva TK, Nanda H. Structure of voltage-dependent anion channel-tethered bilayer lipid membranes determined using neutron reflectivity. Acta Crystallographica. Section D, Structural Biology. 74: 1219-1232. PMID 30605136 DOI: 10.1107/S2059798318011749  0.342
2018 Miranda WE, Ngo VA, Wang R, Zhang L, Chen SRW, Noskov SY. Molecular Mechanism of Conductance Enhancement in Narrow Cation-Selective Membrane Channels. The Journal of Physical Chemistry Letters. 3497-3502. PMID 29886737 DOI: 10.1021/Acs.Jpclett.8B01005  0.461
2018 Kudaibergenova M, Perissinotti LL, Noskov SY. Lipid Roles in hERG Function and Interactions with Drugs. Neuroscience Letters. PMID 29758301 DOI: 10.1016/J.Neulet.2018.05.019  0.46
2018 Perissinotti LL, De Biase PM, Guo J, Yang PC, Lee MC, Clancy CE, Duff HJ, Noskov SY. Determinants of Isoform-Specific Gating Kinetics of hERG1 Channel: Combined Experimental and Simulation Study. Frontiers in Physiology. 9: 207. PMID 29706893 DOI: 10.3389/Fphys.2018.00207  0.491
2018 DeMarco KR, Bekker S, Clancy CE, Noskov SY, Vorobyov I. Digging into Lipid Membrane Permeation for Cardiac Ion Channel Blocker d-Sotalol with All-Atom Simulations. Frontiers in Pharmacology. 9: 26. PMID 29449809 DOI: 10.3389/Fphar.2018.00026  0.405
2018 Farley RA, Holzmann S, Kopp C, Shi Y, Wang Y, Noskov S, Ngo VA. Nonequilibrium Molecular Dynamics (MD) Simulations of Multi-ion Permeation in KcsA Biophysical Journal. 114: 133a. DOI: 10.1016/J.Bpj.2017.11.753  0.575
2018 Miranda WE, Ngo VA, Chen SW, Noskov SY. Understanding the Molecular Mechanism of Cation Permeation in the Cardiac Ryanodine Receptor (RyR2) Channel using Computational Electrophysiology Biophysical Journal. 114: 115a. DOI: 10.1016/J.Bpj.2017.11.665  0.398
2018 Vorobyov I, Brown BM, DeMarco KR, Noskov SY, Yarov-Yarovoy V, Wulff H, Clancy CE. Molecular Determinants of Steroid Hormone and Drug Induced Arrhythmogenesis via hERG Channel Block Biophysical Journal. 114: 486a. DOI: 10.1016/J.Bpj.2017.11.2670  0.411
2018 DeMarco KR, Bekker S, Clancy CE, Noskov SY, Vorobyov I. Atomistic Simulation of Lipid Membrane Permeation for Cardiac Ion Channel Blockers Biophysical Journal. 114: 310a. DOI: 10.1016/J.Bpj.2017.11.1755  0.438
2018 Ngo V, Rostovtseva TK, Bezrukov SM, Noskov SY. Revealing Molecular Coupling between Anion Selectivity and Structural Transitions in Voltage-Dependent Anion Channel (VDAC) Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.1714  0.432
2017 Miranda WE, Ngo VA, Perissinotti LL, Noskov SY. Computational Membrane Biophysics: From Ion Channels Interactions with Drugs to Cellular Function. Biochimica Et Biophysica Acta. PMID 28847523 DOI: 10.1016/J.Bbapap.2017.08.008  0.503
2017 Yang PC, Perissinotti LL, López-Redondo F, Wang Y, DeMarco KR, Jeng MT, Vorobyov I, Harvey RD, Kurokawa J, Noskov SY, Clancy CE. A multiscale computational modelling approach predicts mechanisms of female sex risk in the setting of arousal-induced arrhythmias. The Journal of Physiology. PMID 28516454 DOI: 10.1113/Jp273142  0.512
2017 Durdagi S, Erol I, Salmas RE, Patterson M, Noskov SY. First universal pharmacophore model for hERG1 K(+) channel activators: acthER. Journal of Molecular Graphics & Modelling. 74: 153-170. PMID 28499268 DOI: 10.1016/J.Jmgm.2017.03.020  0.684
2017 Ngo VA, Perissinotti LL, Miranda W, Chen SRW, Noskov SY. Mapping Ryanodine Binding Sites in the Pore Cavity of Ryanodine Receptors. Biophysical Journal. 112: 1645-1653. PMID 28445755 DOI: 10.1016/J.Bpj.2017.03.014  0.374
2017 Wacker S, Noskov SY, Perissinotti LL. Computational Models for Understanding of Structure, Function and Pharmacology of the Cardiac Potassium Channel Kv11.1 (hERG). Current Topics in Medicinal Chemistry. 17: 2681-2702. PMID 28413954 DOI: 10.2174/1568026617666170414143430  0.465
2017 Bukiya AN, Durdagi S, Noskov S, Rosenhouse-Dantsker A. Cholesterol up-regulates neuronal G protein-gated inwardly rectifying potassium (GIRK) channel activity in the hippocampus. The Journal of Biological Chemistry. 292: 6135-6147. PMID 28213520 DOI: 10.1074/Jbc.M116.753350  0.617
2017 Zhekova HR, Ngo V, Silva MCd, Salahub D, Noskov S. Selective ion binding and transport by membrane proteins – A computational perspective Coordination Chemistry Reviews. 345: 108-136. DOI: 10.1016/J.Ccr.2017.03.019  0.412
2017 Keenan Fanning J, Ngo VA, Ishida H, Vogel H, Noskov SY. A Novel Electrostatic Regulatory Mechanism in a Calcium Binding Protein, L-plastin Biophysical Journal. 112: 49a. DOI: 10.1016/J.Bpj.2016.11.304  0.322
2017 Miranda WE, Ngo VA, Perissinotti LL, Wayne Chen S, Noskov SY. Understanding the Binding Mechanism of Ryanodine to the Open- and Closed States of the Ryanodine Receptor Pore Biophysical Journal. 112: 339a. DOI: 10.1016/J.Bpj.2016.11.1838  0.341
2017 Ngo V, Wang Y, Noskov S. Unconventional Ion-Permeation Pathways in NaV Ab and Cav Ab Channels from Molecular Simulations with Polarizable Force-Fields Biophysical Journal. 112: 13a. DOI: 10.1016/J.Bpj.2016.11.105  0.683
2016 Grandi E, Sanguinetti MC, Bartos DC, Bers DM, Chen-Izu Y, Chiamvimonvat N, Colecraft HM, Delisle BP, Heijman J, Navedo MF, Noskov S, Proenza C, Vandenberg JI, Yarov-Yarovoy V. Potassium channels in the heart: structure, function and regulation. The Journal of Physiology. PMID 27861921 DOI: 10.1113/Jp272864  0.433
2016 Zhekova HR, Zhao C, Schnetkamp PP, Noskov SY. Characterization of the cation binding sites in the NCKX2 Na(+)/Ca(2+)- K(+) exchanger. Biochemistry. PMID 27805378 DOI: 10.1021/Acs.Biochem.6B00591  0.419
2016 Wang Y, Guo J, Perissinotti LL, Lees-Miller J, Teng G, Durdagi S, Duff HJ, Noskov SY. Role of the pH in state-dependent blockade of hERG currents. Scientific Reports. 6: 32536. PMID 27731415 DOI: 10.1038/Srep32536  0.723
2016 Qiu F, Chamberlin A, Watkins BM, Ionescu A, Perez ME, Barro-Soria R, González C, Noskov SY, Larsson HP. Molecular mechanism of Zn2+ inhibition of a voltage-gated proton channel. Proceedings of the National Academy of Sciences of the United States of America. PMID 27647906 DOI: 10.1073/Pnas.1604082113  0.422
2016 Miranda WE, Ngo VA, Valiente PA, Noskov SY. Improved QM/MM Linear Interaction Energy Model for Substrate Recognition in Zinc-Containing Metalloenzymes. The Journal of Physical Chemistry. B. PMID 27448039 DOI: 10.1021/Acs.Jpcb.6B05628  0.341
2016 De Biase PM, Ervin EN, Pal P, Samoylova O, Markosyan S, Keehan MG, Barrall GA, Noskov SY. What controls open-pore and residual currents in the first sensing zone of alpha-hemolysin nanopore? Combined experimental and theoretical study. Nanoscale. PMID 27210516 DOI: 10.1039/C6Nr00164E  0.341
2016 Gumbart JC, Noskov S. Membrane proteins: Where theory meets experiment. Biochimica Et Biophysica Acta. PMID 27094366 DOI: 10.1016/J.Bbamem.2016.04.007  0.526
2016 Solano CJ, Pothula KR, Prajapati JD, De Biase PM, Noskov SY, Kleinekathöfer U. BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms. Journal of Chemical Theory and Computation. 12: 2401-17. PMID 27088446 DOI: 10.1021/Acs.Jctc.5B01196  0.358
2016 Noskov SY, Rostovtseva TK, Chamberlin AC, Teijido O, Jiang W, Bezrukov SM. Current state of theoretical and experimental studies of the voltage-dependent Anion Channel (VDAC). Biochimica Et Biophysica Acta. PMID 26940625 DOI: 10.1016/J.Bbamem.2016.02.026  0.48
2016 Ngo VA, Kim I, Allen TW, Noskov SY. Estimation of Potentials of Mean Force from Non-Equilibrium Pulling Simulations Using Both Minh-Adib Estimator and Weighted Histogram Analysis Method. Journal of Chemical Theory and Computation. PMID 26799775 DOI: 10.1021/Acs.Jctc.5B01050  0.547
2016 Manin N, da Silva MC, Zdravkovic I, Eliseeva O, Dyshin A, Yaşar O, Salahub DR, Kolker AM, Kiselev MG, Noskov SY. LiCl solvation in N-methyl-acetamide (NMA) as a model for understanding Li(+) binding to an amide plane. Physical Chemistry Chemical Physics : Pccp. PMID 26784370 DOI: 10.1039/C5Cp04847H  0.45
2016 Ngo V, Wang Y, Haas S, Noskov SY, Farley RA. K+ Block Is the Mechanism of Functional Asymmetry in Bacterial Nav Channels. Plos Computational Biology. 12: e1004482. PMID 26727271 DOI: 10.1371/Journal.Pcbi.1004482  0.674
2016 Ngo V, Noskov SY. A Trio of Cations in Gramicidin a Channel: Importance of Quantum Effects to Describe Ion Selectivity of K+ and Na+, and Proton Transfer Biophysical Journal. 110: 177a. DOI: 10.1016/J.Bpj.2015.11.989  0.48
2016 Hoogerheide DP, Noskov S, Rostovtseva TK, Bezrukov SM, Nanda H. Orientation of Dimeric Tubulin on Lipid Membranes Studied using Neutron Reflectometry Biophysical Journal. 110: 575a. DOI: 10.1016/J.Bpj.2015.11.3076  0.345
2016 Farley RA, Shi Y, Wang Y, Ngo V, Noskov S. Molecular Dynamics Simulations of Mutant K Channels Involved in Severe Early Onset Epilepsy Biophysical Journal. 110: 449a. DOI: 10.1016/J.Bpj.2015.11.2411  0.655
2015 Singh G, Chamberlin AC, Zhekova HR, Noskov SY, Tieleman DP. Two - Dimensional Potentials of Mean Force of Nile Red in Intact and Damaged Model Bilayers. Application to Calculations of Fluorescence Spectra. Journal of Chemical Theory and Computation. PMID 26579726 DOI: 10.1021/Acs.Jctc.5B00520  0.3
2015 Ngo V, da Silva MC, Kubillus M, Li H, Roux B, Elstner M, Cui Q, Salahub DR, Noskov SY. Quantum Effects in Cation Interactions with First and Second Coordination Shell Ligands in Metalloproteins. Journal of Chemical Theory and Computation. 11: 4992-5001. PMID 26574284 DOI: 10.1021/Acs.Jctc.5B00524  0.543
2015 Yang PC, Moreno JD, Miyake CY, Vaughn-Behrens SB, Jeng MT, Grandi E, Wehrens XH, Noskov S, Clancy CE. In silico prediction of drug therapy in catecholaminergic polymorphic ventricular tachycardia. The Journal of Physiology. PMID 26515697 DOI: 10.1113/Jp271282  0.396
2015 Salmas RE, Mestanoglu M, Yurtsever M, Noskov SY, Durdagi S. Molecular Simulations of Solved Co-crystallized X-Ray Structures Identify Action Mechanisms of PDEδ Inhibitors. Biophysical Journal. 109: 1163-8. PMID 26340817 DOI: 10.1016/J.Bpj.2015.08.001  0.634
2015 Lees-Miller JP, Guo J, Wang Y, Perissinotti LL, Noskov SY, Duff HJ. In response to Melgari et al. "hERG potassium channel inhibition by ivabradine requires channel gating". Journal of Molecular and Cellular Cardiology. 87: 192-3. PMID 26299838 DOI: 10.1016/J.Yjmcc.2015.08.003  0.603
2015 Salmas RE, Unlu A, Yurtsever M, Noskov SY, Durdagi S. In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry. 1-9. PMID 26083304 DOI: 10.3109/14756366.2015.1005011  0.644
2015 Lees-Miller JP, Guo J, Wang Y, Perissinotti LL, Noskov SY, Duff HJ. Ivabradine prolongs phase 3 of cardiac repolarization and blocks the hERG1 (KCNH2) current over a concentration-range overlapping with that required to block HCN4. Journal of Molecular and Cellular Cardiology. 85: 71-78. PMID 25986146 DOI: 10.1016/J.Yjmcc.2015.05.009  0.581
2015 Stolzenberg S, Quick M, Zhao C, Gotfryd K, Khelashvili G, Gether U, Loland CJ, Javitch JA, Noskov S, Weinstein H, Shi L. Mechanism of the Association between Na+ Binding and Conformations at the Intracellular Gate in Neurotransmitter:Sodium Symporters. The Journal of Biological Chemistry. 290: 13992-4003. PMID 25869126 DOI: 10.1074/Jbc.M114.625343  0.37
2015 Wheatley RW, Juers DH, Lev BB, Huber RE, Noskov SY. Elucidating factors important for monovalent cation selectivity in enzymes: E. coli β-galactosidase as a model. Physical Chemistry Chemical Physics : Pccp. 17: 10899-909. PMID 25820412 DOI: 10.1039/C4Cp04952G  0.35
2015 Perissinotti LL, Guo J, De Biase PM, Clancy CE, Duff HJ, Noskov SY. Kinetic model for NS1643 drug activation of WT and L529I variants of Kv11.1 (hERG1) potassium channel. Biophysical Journal. 108: 1414-24. PMID 25809254 DOI: 10.1016/J.Bpj.2014.12.056  0.459
2015 Guo J, Cheng YM, Lees-Miller JP, Perissinotti LL, Claydon TW, Hull CM, Thouta S, Roach DE, Durdagi S, Noskov SY, Duff HJ. NS1643 interacts around L529 of hERG to alter voltage sensor movement on the path to activation. Biophysical Journal. 108: 1400-13. PMID 25809253 DOI: 10.1016/J.Bpj.2014.12.055  0.541
2015 Li H, Ngo V, Da Silva MC, Salahub DR, Callahan K, Roux B, Noskov SY. Representation of Ion-Protein Interactions Using the Drude Polarizable Force-Field. The Journal of Physical Chemistry. B. 119: 9401-16. PMID 25578354 DOI: 10.1021/Jp510560K  0.76
2015 Eddy MT, Andreas L, Teijido O, Su Y, Clark L, Noskov SY, Wagner G, Rostovtseva TK, Griffin RG. Magic angle spinning nuclear magnetic resonance characterization of voltage-dependent anion channel gating in two-dimensional lipid crystalline bilayers. Biochemistry. 54: 994-1005. PMID 25545271 DOI: 10.1021/Bi501260R  0.408
2015 Chamberlin A, Qiu F, Wang Y, Noskov SY, Larsson HP. Mapping the gating and permeation pathways in the voltage-gated proton channel Hv1. Journal of Molecular Biology. 427: 131-45. PMID 25481746 DOI: 10.1016/J.Jmb.2014.11.018  0.667
2015 Lees-Miller JP, Guo J, Wang Y, Perissinotti LL, Noskov SY, Duff HJ. In response to Melgari et al. "hERG potassium channel inhibition by ivabradine requires channel gating" Journal of Molecular and Cellular Cardiology. 87: 192-193. DOI: 10.1016/j.yjmcc.2015.08.003  0.558
2015 Wang Y, Perissinotti L, Guo J, Duff HJ, Noskov SY. Molecular Origins of State-Dependent Herg1 Blockade by Dofetilide Biophysical Journal. 108. DOI: 10.1016/J.Bpj.2014.11.680  0.645
2015 Ngo V, Wang Y, Noskov S, Haas S, Farley RA. Molecular Dynamics Simulations Describe the Mechanism of K Block in Bacterial Nav Channels Biophysical Journal. 108: 574a-575a. DOI: 10.1016/J.Bpj.2014.11.3142  0.683
2015 Solis E, Zdravkovic I, Kolanos R, Sakloth F, Noskov SY, Glennon RA, De Felice LJ. Characterization of a Secondary Site of Drug Action on the Human Dopamine Transporter Biophysical Journal. 108: 462a. DOI: 10.1016/J.Bpj.2014.11.2521  0.31
2015 Qiu F, Chamberlin A, Noskov S, Larsson HP. Molecular Mechanism of Zinc Inhibition on Voltage-Gated Proton Channel Hv1 Biophysical Journal. 108: 367a. DOI: 10.1016/J.Bpj.2014.11.2012  0.481
2015 Zdravkovic I, Lech PJ, Russell SJ, Noskov SY. Characterization of the Sodium Iodide Symporter Binding Sites Biophysical Journal. 108. DOI: 10.1016/J.Bpj.2014.11.1677  0.347
2014 Guo J, Durdagi S, Changalov M, Perissinotti LL, Hargreaves JM, Back TG, Noskov SY, Duff HJ. Structure driven design of novel human ether-a-go-go-related-gene channel (hERG1) activators. Plos One. 9: e105553. PMID 25191697 DOI: 10.1371/Journal.Pone.0105553  0.655
2014 Anwar-Mohamed A, Barakat KH, Bhat R, Noskov SY, Tyrrell DL, Tuszynski JA, Houghton M. A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity. Toxicology Letters. 230: 382-92. PMID 25127758 DOI: 10.1016/J.Toxlet.2014.08.007  0.415
2014 Markosyan S, De Biase PM, Czapla L, Samoylova O, Singh G, Cuervo J, Tieleman DP, Noskov SY. Effect of confinement on DNA, solvent and counterion dynamics in a model biological nanopore. Nanoscale. 6: 9006-16. PMID 24968858 DOI: 10.1039/C3Nr06559F  0.337
2014 Teijido O, Rappaport SM, Chamberlin A, Noskov SY, Aguilella VM, Rostovtseva TK, Bezrukov SM. Acidification asymmetrically affects voltage-dependent anion channel implicating the involvement of salt bridges. The Journal of Biological Chemistry. 289: 23670-82. PMID 24962576 DOI: 10.1074/Jbc.M114.576314  0.411
2014 Buturak B, Durdagi S, Noskov SY, Ildeniz AT. Designing of multi-targeted molecules using combination of molecular screening and in silico drug cardiotoxicity prediction approaches. Journal of Molecular Graphics & Modelling. 50: 16-34. PMID 24699019 DOI: 10.1016/J.Jmgm.2014.02.007  0.571
2014 Durdagi S, Randall T, Duff HJ, Chamberlin A, Noskov SY. Rehabilitating drug-induced long-QT promoters: in-silico design of hERG-neutral cisapride analogues with retained pharmacological activity. Bmc Pharmacology & Toxicology. 15: 14. PMID 24606761 DOI: 10.1186/2050-6511-15-14  0.617
2014 Wang Y, Chamberlin AC, Noskov SY. Molecular strategies to achieve selective conductance in NaK channel variants. The Journal of Physical Chemistry. B. 118: 2041-9. PMID 24506283 DOI: 10.1021/Jp4107537  0.663
2014 Finol-Urdaneta RK, Wang Y, Al-Sabi A, Zhao C, Noskov SY, French RJ. Sodium channel selectivity and conduction: prokaryotes have devised their own molecular strategy. The Journal of General Physiology. 143: 157-71. PMID 24420772 DOI: 10.1085/Jgp.201311037  0.681
2014 Chamberlin A, Qiu F, Rebolledo S, Wang Y, Noskov SY, Larsson HP. Hydrophobic plug functions as a gate in voltage-gated proton channels. Proceedings of the National Academy of Sciences of the United States of America. 111: E273-82. PMID 24379371 DOI: 10.1073/Pnas.1318018111  0.637
2014 Rosenhouse-Dantsker A, Noskov S, Durdagi S, Logothetis DE, Levitan I. Identification of Novel Cholesterol Binding Regions in the Transmembrane Domain of Kir2.1 Biophysical Journal. 106: 747a. DOI: 10.1016/J.Bpj.2013.11.4117  0.638
2014 Chamberlin AC, Qui F, Noskov S, Larsson P. On the Location of Binding Sites of 2-Guanidinobenzimidazole in the Voltage-Gated Proton Channel Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.4100  0.474
2014 Qiu F, Chamberlin A, Noskov S, Larsson HP. Electrostatic Interactions in the Closed and Open States of Voltage-Gated Proton Channels Biophysical Journal. 106: 744a. DOI: 10.1016/J.Bpj.2013.11.4099  0.444
2014 Hermida OT, Noskov SY, Ujwal R, Abramson J, Eddy MT, Griffin RG, Bezrukov SM, Rostovtseva TK. Functional, Structural, and Computational Approaches to the Molecular Mechanism of Vdac Gating Biophysical Journal. 106: 590a. DOI: 10.1016/J.Bpj.2013.11.3270  0.403
2014 Wang Y, Zhao C, Noskov SY. Strategies to Achieve Selective Conductance in K- and Na- Selective Ion Channels Biophysical Journal. 106: 539a. DOI: 10.1016/J.Bpj.2013.11.3006  0.691
2014 Noskov S, Teijido Hermida O, Rostovtseva T, Sergei B. Mapping Conformational States in VDAC1 Channel: Complexity of Gating Landscape Biophysical Journal. 106: 234a. DOI: 10.1016/J.Bpj.2013.11.1371  0.462
2014 Durdagi S, Patterson M, Noskov SY. Development and Validation Studies of Universal Pharmacophore Models for hERG Channel Openers Biophysical Journal. 106: 15a. DOI: 10.1016/J.Bpj.2013.11.137  0.665
2013 Lev B, Roux B, Noskov SY. Relative Free Energies for Hydration of Monovalent Ions from QM and QM/MM Simulations. Journal of Chemical Theory and Computation. 9: 4165-75. PMID 26592407 DOI: 10.1021/Ct400296W  0.552
2013 Noskov SY, Rostovtseva TK, Bezrukov SM. ATP transport through VDAC and the VDAC-tubulin complex probed by equilibrium and nonequilibrium MD simulations. Biochemistry. 52: 9246-56. PMID 24245503 DOI: 10.1021/Bi4011495  0.46
2013 Rosenhouse-Dantsker A, Noskov S, Durdagi S, Logothetis DE, Levitan I. Identification of novel cholesterol-binding regions in Kir2 channels. The Journal of Biological Chemistry. 288: 31154-64. PMID 24019518 DOI: 10.1074/Jbc.M113.496117  0.663
2013 Rosenhouse-Dantsker A, Noskov S, Logothetis DE, Levitan I. Cholesterol sensitivity of KIR2.1 depends on functional inter-links between the N and C termini. Channels (Austin, Tex.). 7: 303-12. PMID 23807091 DOI: 10.4161/Chan.25437  0.443
2013 Lev B, Noskov SY. Role of protein matrix rigidity and local polarization effects in the monovalent cation selectivity of crystallographic sites in the Na-coupled aspartate transporter Glt(Ph). Physical Chemistry Chemical Physics : Pccp. 15: 2397-404. PMID 23301243 DOI: 10.1039/C2Cp42860A  0.424
2013 Lev B, Roux B, Noskov SY. Relative free energies for hydration of monovalent ions from QM and QM/MM simulations Journal of Chemical Theory and Computation. 9: 4165-4175. DOI: 10.1021/ct400296w  0.433
2013 Rosenhouse-Dantsker A, Noskov S, Han H, Adney SK, Tang Q, Rodríguez-Menchaca AA, Kowalsky GB, Petrou VI, Osborn CV, Logothetis DE, Levitan I. Distant Cytosolic Residues in Kir Channels Control Channel Gating and Modulation by Cholesterol and PI(4,5)P2 Biophysical Journal. 104: 24a-25a. DOI: 10.1016/J.Bpj.2012.11.169  0.461
2013 Stolzenberg S, Zhao C, Gracia L, Noskov S, Weinstein H, Shi L. Allostery in the Ion-Controlled Conformational Dynamics of LeuT Biophysical Journal. 104: 287a-288a. DOI: 10.1016/J.Bpj.2012.11.1609  0.4
2013 Chamberlin AC, Noskov S. Voltage-Gated Hydrogen Ion Channel of Ciona Intestinalis Biophysical Journal. 104: 276a-277a. DOI: 10.1016/J.Bpj.2012.11.1551  0.469
2013 Durdagi S, Randal T, Duff HJ, Noskov SY. Rehabilitation Studies for withdrawn Drugs from the Market: Derivation of Non-hERG1 Channel Blocker Cisapride Analogues using Multi-Faceted Approaches Biophysical Journal. 104: 266a. DOI: 10.1016/J.Bpj.2012.11.1495  0.636
2012 Vorobyov I, Bennett WF, Tieleman DP, Allen TW, Noskov S. The Role of Atomic Polarization in the Thermodynamics of Chloroform Partitioning to Lipid Bilayers. Journal of Chemical Theory and Computation. 8: 618-28. PMID 26596610 DOI: 10.1021/Ct200417P  0.538
2012 Zhao C, Stolzenberg S, Gracia L, Weinstein H, Noskov S, Shi L. Ion-controlled conformational dynamics in the outward-open transition from an occluded state of leut Biophysical Journal. 103: 878-888. PMID 23009837 DOI: 10.1016/J.Bpj.2012.07.044  0.398
2012 Rosenhouse-Dantsker A, Noskov S, Han H, Adney SK, Tang QY, Rodríguez-Menchaca AA, Kowalsky GB, Petrou VI, Osborn CV, Logothetis DE, Levitan I. Distant cytosolic residues mediate a two-way molecular switch that controls the modulation of inwardly rectifying potassium (Kir) channels by cholesterol and phosphatidylinositol 4,5-bisphosphate (PI(4,5)P(2)). The Journal of Biological Chemistry. 287: 40266-78. PMID 22995912 DOI: 10.1074/Jbc.M111.336339  0.457
2012 Durdagi S, Deshpande S, Duff HJ, Noskov SY. Modeling of open, closed, and open-inactivated states of the hERG1 channel: structural mechanisms of the state-dependent drug binding. Journal of Chemical Information and Modeling. 52: 2760-74. PMID 22989185 DOI: 10.1021/Ci300353U  0.679
2012 Durdagi S, Guo J, Lees-Miller JP, Noskov SY, Duff HJ. Structure-guided topographic mapping and mutagenesis to elucidate binding sites for the human ether-a-go-go-related gene 1 potassium channel (KCNH2) activator NS1643. The Journal of Pharmacology and Experimental Therapeutics. 342: 441-52. PMID 22573844 DOI: 10.1124/Jpet.111.189159  0.616
2012 Vorobyov I, Bennett WFD, Tieleman DP, Allen TW, Noskov S. The role of atomic polarization in the thermodynamics of chloroform partitioning to lipid bilayers Journal of Chemical Theory and Computation. 8: 618-628. DOI: 10.1021/ct200417p  0.424
2012 Samoylova O, Markosyan S, Ervin EN, Pal P, De Biase P, Keehan MG, Barrall GA, Noskov S. Towards Nanopore Sequencing: Comparing Experimental Results with Computational Modeling of DNA Interactions with α-Hemolysin Biophysical Journal. 102: 729a. DOI: 10.1016/J.Bpj.2011.11.3956  0.349
2012 Durdagi S, Deshpande S, Duff H, Noskov S. Development of Atomistic Models for Closed, Open and Open-Inactivated States of hERG1 Channel using Rosetta Protein Modeling Suite and Molecular Dynamics Simulations Biophysical Journal. 102: 679a. DOI: 10.1016/J.Bpj.2011.11.3693  0.686
2012 Finol-Urdaneta RK, Al-Sabi A, Noskov S, French RJ. Monovalent Ion Selectivity of the Homotetrameric Bacterial Na Channel, NaChBac Biophysical Journal. 102: 603a-604a. DOI: 10.1016/J.Bpj.2011.11.3288  0.497
2012 Zdravkovic I, Henry KL, Dawson ES, Noskov SY. Molecular Dynamics Approach to Determine the Importance of an Asparagine Residue on Chloride-Dependence in the Human Serotonin Transporter Biophysical Journal. 102: 523a. DOI: 10.1016/J.Bpj.2011.11.2859  0.374
2012 Rosenhouse-Dantsker A, Noskov S, Rodríguez-Menchaca AA, Logothetis DE, Levitan I. Modulation of Kir Channels by Cholesterol and PI(4,5)P2 Is Controlled by a Two-Way Molecular Switch Biophysical Journal. 102: 18a. DOI: 10.1016/J.Bpj.2011.11.123  0.449
2012 Roux B, Noskov SY. Corrigendum for Biophysical Chemistry 124 (2006) 279–291 Biophysical Chemistry. 161: 54. DOI: 10.1016/J.Bpc.2011.10.004  0.402
2011 Durdagi S, Zhao C, Cuervo JE, Noskov SY. Atomistic models for free energy evaluation of drug binding to membrane proteins. Current Medicinal Chemistry. 18: 2601-11. PMID 21568889 DOI: 10.2174/092986711795933641  0.622
2011 Durdagi S, Noskov SY. Mechanism of K+/Na+ selectivity in potassium channels from the perspective of the non-selective bacterial channel NaK. Channels (Austin, Tex.). 5: 198-200. PMID 21540644 DOI: 10.4161/Chan.5.3.15873  0.69
2011 Roux B, Bernèche S, Egwolf B, Lev B, Noskov SY, Rowley CN, Yu H. Ion selectivity in channels and transporters. The Journal of General Physiology. 137: 415-26. PMID 21518830 DOI: 10.1085/Jgp.201010577  0.779
2011 Zhao C, Noskov SY. The role of local hydration and hydrogen-bonding dynamics in ion and solute release from ion-coupled secondary transporters. Biochemistry. 50: 1848-56. PMID 21265577 DOI: 10.1021/Bi101454F  0.421
2011 Durdagi S, Duff HJ, Noskov SY. Combined receptor and ligand-based approach to the universal pharmacophore model development for studies of drug blockade to the hERG1 pore domain. Journal of Chemical Information and Modeling. 51: 463-74. PMID 21241063 DOI: 10.1021/Ci100409Y  0.633
2011 Rowley CN, Lev B, Noskov S, Roux B. QM/MM Modeling of Ba2+ Blockades in Potassium ion Channels Biophysical Journal. 100: 565a. DOI: 10.1016/J.Bpj.2010.12.3280  0.737
2011 Zhao C, Cuervo J, Noskov SY. Transporting Mechanisms of Sodium-Dependent Secondary Membrane Transporters: Insights form Computational Simulations Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.2441  0.424
2011 Noskov S. Molecular Mechanisms of Ion Selectivity in Membrane Proteins: Ion Channels and Transporters Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.244  0.493
2011 Lev B, Zhao C, Noskov S. Molecular Mechanisms of Monovalent Cation Selectivity in Na+-Coupled Secondary Transporters from Free Energy Simulations with Implicit and Explicit Treatment of Electronic Effects Biophysical Journal. 100: 246a. DOI: 10.1016/J.Bpj.2010.12.1561  0.431
2010 Yu H, Noskov SY, Roux B. Two mechanisms of ion selectivity in protein binding sites. Proceedings of the National Academy of Sciences of the United States of America. 107: 20329-34. PMID 21057111 DOI: 10.1073/Pnas.1007150107  0.659
2010 Subbotina J, Yarov-Yarovoy V, Lees-Miller J, Durdagi S, Guo J, Duff HJ, Noskov SY. Structural refinement of the hERG1 pore and voltage-sensing domains with ROSETTA-membrane and molecular dynamics simulations. Proteins. 78: 2922-34. PMID 20740484 DOI: 10.1002/Prot.22815  0.669
2010 Durdagi S, Subbotina J, Lees-Miller J, Guo J, Duff HJ, Noskov SY. Insights into the molecular mechanism of hERG1 channel activation and blockade by drugs. Current Medicinal Chemistry. 17: 3514-32. PMID 20738248 DOI: 10.2174/092986710792927886  0.695
2010 Larsson HP, Wang X, Lev B, Baconguis I, Caplan DA, Vyleta NP, Koch HP, Diez-Sampedro A, Noskov SY. Evidence for a third sodium-binding site in glutamate transporters suggests an ion/substrate coupling model. Proceedings of the National Academy of Sciences of the United States of America. 107: 13912-7. PMID 20634426 DOI: 10.1073/Pnas.1006289107  0.352
2010 Zhang Z, Rosenhouse-Dantsker A, Tang QY, Noskov S, Logothetis DE. The RCK2 domain uses a coordination site present in Kir channels to confer sodium sensitivity to Slo2.2 channels. The Journal of Neuroscience : the Official Journal of the Society For Neuroscience. 30: 7554-62. PMID 20519529 DOI: 10.1523/Jneurosci.0525-10.2010  0.492
2010 Lev B, Zhang R, de la Lande A, Salahub D, Noskov SY. The QM-MM interface for CHARMM-deMon. Journal of Computational Chemistry. 31: 1015-23. PMID 20027641 DOI: 10.1002/Jcc.21387  0.303
2010 Zhang Z, Rosenhouse-Dantsker A, Tang Q, Noskov S, Logothetis DE. The Na+-Activated Potassium Channel Slack Shares a Similar Na+ Coordination Site with Kir3 Channels Biophysical Journal. 98: 533a-534a. DOI: 10.1016/J.Bpj.2009.12.2895  0.482
2010 Yu H, Noskov SY, Roux B. The Role of Architectural and Structural Forces in Ion Selectivity Biophysical Journal. 98: 330a. DOI: 10.1016/J.Bpj.2009.12.1790  0.66
2009 Yu H, Noskov SY, Roux B. Hydration number, topological control, and ion selectivity. The Journal of Physical Chemistry. B. 113: 8725-30. PMID 19489546 DOI: 10.1021/Jp901233V  0.669
2009 Lees-Miller JP, Subbotina JO, Guo J, Yarov-Yarovoy V, Noskov SY, Duff HJ. Interactions of H562 in the S5 helix with T618 and S621 in the pore helix are important determinants of hERG1 potassium channel structure and function. Biophysical Journal. 96: 3600-10. PMID 19413965 DOI: 10.1016/J.Bpj.2009.01.028  0.399
2009 Shvartsburg AA, Noskov SY, Purves RW, Smith RD. Pendular proteins in gases and new avenues for characterization of macromolecules by ion mobility spectrometry. Proceedings of the National Academy of Sciences of the United States of America. 106: 6495-500. PMID 19351899 DOI: 10.1073/Pnas.0812318106  0.357
2009 Lamoureux G, Faraldo-Gómez JD, Krupin S, Noskov SY. Polarizable model of chloroform based on classical Drude oscillators Chemical Physics Letters. 468: 270-274. DOI: 10.1016/J.Cplett.2008.12.002  0.557
2009 Yu H, Whitfield TW, Noskov SY, Mazzanti CL, Koeppe RE, Andersen OS, Roux B. Development of a Drude Polarizable Force Field for Ion-water and Ion-NMA Interactions and Application to Selectivity in Ion Channels Biophysical Journal. 96: 660a. DOI: 10.1016/J.Bpj.2008.12.3488  0.675
2009 Noskov S, Caplan D, Subbotina J. Mechanism Of Ion-ion And Ion-substrate Coupling In Secondary Amino-acid Transporters Biophysical Journal. 96: 211a. DOI: 10.1016/J.Bpj.2008.12.1868  0.431
2008 De Felice LJ, Noskov S, Schnetkamp PPM. Transporters in channels Channels. 2: 305-307. PMID 19066449 DOI: 10.4161/Chan.2.5.7482  0.451
2008 Noskov SY, Roux B. Control of ion selectivity in LeuT: two Na+ binding sites with two different mechanisms. Journal of Molecular Biology. 377: 804-18. PMID 18280500 DOI: 10.1016/J.Jmb.2008.01.015  0.576
2007 Noskov SY, Roux B. Importance of hydration and dynamics on the selectivity of the KcsA and NaK channels. The Journal of General Physiology. 129: 135-43. PMID 17227917 DOI: 10.1085/Jgp.200609633  0.619
2006 Harder E, Anisimov VM, Vorobyov IV, Lopes PE, Noskov SY, MacKerell AD, Roux B. Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator. Journal of Chemical Theory and Computation. 2: 1587-97. PMID 26627029 DOI: 10.1021/Ct600180X  0.476
2006 Noskov SY, Roux B. Ion selectivity in potassium channels. Biophysical Chemistry. 124: 279-91. PMID 16843584 DOI: 10.1016/J.Bpc.2006.05.033  0.622
2006 Harder E, Anisimov VM, Vorobyov IV, Lopes PEM, Noskov SY, MacKerell AD, Roux B. Atomic level anisotropy in the electrostatic modeling of lone pairs for a polarizable force field based on the classical drude oscillator Journal of Chemical Theory and Computation. 2: 1587-1597. DOI: 10.1021/ct600180x  0.362
2005 Noskov SY, Lamoureux G, Roux B. Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field. The Journal of Physical Chemistry. B. 109: 6705-13. PMID 16851754 DOI: 10.1021/Jp045438Q  0.597
2004 Noskov SY, Bernèche S, Roux B. Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands. Nature. 431: 830-4. PMID 15483608 DOI: 10.1038/Nature02943  0.618
2004 Noskov SY, Im W, Roux B. Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory. Biophysical Journal. 87: 2299-309. PMID 15454431 DOI: 10.1529/Biophysj.104.044008  0.688
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