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/

138 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
2021 DeMarco KR, Yang PC, Singh V, Furutani K, Dawson JRD, Jeng MT, Fettinger J, Bekker S, Ngo VA, Noskov SY, Yarov-Yarovoy V, Sack JT, Wulff H, Clancy CE, Vorobyov I. Molecular determinants of pro-arrhythmia proclivity of d- and l-sotalol via a multi-scale modeling pipeline. Journal of Molecular and Cellular Cardiology. PMID 34062207 DOI: 10.1016/j.yjmcc.2021.05.015  0.44
2021 Khan HM, Guo J, Duff HJ, Tieleman DP, Noskov SY. Refinement of a Cryo-EM Structure of hERG: Bridging Structure and Function. Biophysical Journal. PMID 33476597 DOI: 10.1016/j.bpj.2021.01.011  0.56
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  0.56
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  0.44
2020 Concilio SC, Zhekova HR, Noskov SY, Russell SJ. Inter-species variation in monovalent anion substrate selectivity and inhibitor sensitivity in the sodium iodide symporter (NIS). Plos One. 15: e0229085. PMID 32084174 DOI: 10.1371/Journal.Pone.0229085  0.52
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  0.56
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  0.4
2020 Miranda WE, Guo J, Corradi V, Galloso HM, Tieleman PD, Duff HJ, Noskov SY. Molecular Mechanisms of Human ERG1 Channel Blockade by Ceramides Biophysical Journal. 118. DOI: 10.1016/J.Bpj.2019.11.3038  0.56
2020 Galloso HM, Valdes-Tresanco ME, Subramanian N, Corradi V, Miranda WE, Kudaibergenova M, Liin SI, Larsson PH, Noskov SY, Tieleman PD. Lipid-Dependent Modulation of Cardiac Ion Channel Activity as an Anti-Arrhythmic Therapy in Long-QT Syndrome Biophysical Journal. 118. DOI: 10.1016/J.Bpj.2019.11.3032  0.4
2020 Zhekova HR, Jiang J, Zhou H, Pushkin A, Noskov SY, Kurtz I. Modelling of Ion and Water Permeation in the Outward Facing Conformation of Human Anion Exchanger 1 Biophysical Journal. 118. DOI: 10.1016/J.Bpj.2019.11.2882  0.52
2020 Yazdi S, Larsson JE, Miranda WE, Corradi V, Tieleman PD, Noskov SY, Larsson PH, Liin SI. Identification of PUFA Interaction Sites on a Cardiac Potassium Channel Biophysical Journal. 118. DOI: 10.1016/J.Bpj.2019.11.1032  0.4
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  0.56
2019 Kao L, Azimov R, Shao XM, Abuladze N, Newman D, Zhekova H, Noskov S, Pushkin A, Kurtz I. SLC4A11 Function: Evidence for H(OH) and NH-H Transport. American Journal of Physiology. Cell Physiology. PMID 31774702 DOI: 10.1152/Ajpcell.00425.2019  0.52
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  0.56
2019 Duff HJ, Noskov SY, Muruve D, Perlovic G, Ol Khovich M, Sharapova A, Gerull B, Guo J, Kudaibergenova M, Perissinotti L. The Pore-Lipid Interface: Role of Amino Acid Determinants of Lipophilic Access by Ivabradine to the hERG1 Pore Domain. Molecular Pharmacology. PMID 31182542 DOI: 10.1124/Mol.118.115642  0.56
2019 Noskov SY, Yarov-Yarovoy V. Editorial. Neuroscience Letters. PMID 30822438 DOI: 10.1016/j.neulet.2019.02.040  0.4
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  0.44
2019 Zhekova HR, Damergi M, Noskov SY, Jiang J, Zhou ZH, Pushkin A, Kurtz I. Modelling of Ion Binding and Selectivity in SLC4 Transporters Biophysical Journal. 116. DOI: 10.1016/J.Bpj.2018.11.2984  0.52
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  0.32
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  0.32
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  0.4
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  0.32
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  0.56
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  0.44
2018 Zhekova HR, Zdravkovic I, Noskov SY, Sakuma T, Concilio SC, Johnson R, Russell SJ, Peng K. Homology Modelling of Sodium Iodide Symporter Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.3137  0.52
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  0.32
2018 Noskov S, Duff H, Perissinotti L, Guo J, Kudaibergenova M. Molecular Mechanisms of hERG Potassium Channel Interactions with Ivabradine: Importance of the Lipophilic Route Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.1676  0.56
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  0.4
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  0.56
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  1
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  0.4
2017 Hoogerheide DP, Noskov SY, Jacobs D, Bergdoll L, Silin V, Worcester DL, Abramson J, Nanda H, Rostovtseva TK, Bezrukov SM. Structural features and lipid binding domain of tubulin on biomimetic mitochondrial membranes. Proceedings of the National Academy of Sciences of the United States of America. PMID 28420794 DOI: 10.1073/Pnas.1619806114  0.32
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  1
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  0.52
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  0.4
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  0.52
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  1
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  1
2016 French RJ, Noskov S. Preface: Sodium Channels: Structure, Function, and Beyond Emerging Views in the 21st Century. Current Topics in Membranes. 78. PMID 27586297 DOI: 10.1016/S1063-5823(16)30023-0  0.36
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  0.4
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  1
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  0.48
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  0.32
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  1
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  1
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  1
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  1
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  1
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  1
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  0.56
2015 Miranda WE, Noskov SY, Valiente PA. Improving the LIE Method for Binding Free Energy Calculations of Protein-Ligand Complexes. Journal of Chemical Information and Modeling. 55: 1867-77. PMID 26180998 DOI: 10.1021/Acs.Jcim.5B00012  1
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  1
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  1
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  1
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  1
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  1
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  1
2015 Salahub DR, Noskov SY, Lev B, Zhang R, Ngo V, Goursot A, Calaminici P, Köster AM, Alvarez-Ibarra A, Mejía-Rodríguez D, ?ezá? J, Cailliez F, de la Lande A. QM/MM calculations with deMon2k. Molecules (Basel, Switzerland). 20: 4780-812. PMID 25786164 DOI: 10.3390/Molecules20034780  1
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  1
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  0.32
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  1
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  1
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  0.56
2015 De Biase PM, Markosyan S, Noskov S. BROMOC suite: Monte Carlo/Brownian Dynamics suite for studies of ion permeation and DNA transport in biological and artificial pores with effective potentials Journal of Computational Chemistry. 36: 264-271. DOI: 10.1002/Jcc.23799  1
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  1
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  1
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  1
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  1
2014 De Biase PM, Markosyan S, Noskov S. Microsecond simulations of DNA and ion transport in nanopores with novel ion-ion and ion-nucleotides effective potentials Journal of Computational Chemistry. 35: 711-721. PMID 24738152 DOI: 10.1002/Jcc.23544  1
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  1
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  1
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  1
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  1
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  1
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  0.32
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  1
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  1
2013 Zhao C, Noskov SY. The molecular mechanism of ion-dependent gating in secondary transporters. Plos Computational Biology. 9: e1003296. PMID 24204233 DOI: 10.1371/Journal.Pcbi.1003296  1
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  1
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  1
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  1
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  1
2013 Markosyan S, Cuervo JE, Noskov S. Towards Nanopore Sequencing: In-Silico Studies on the Interactions between Alpha-Hemolysin and SS DNA Molecules Biophysical Journal. 104: 3-4. DOI: 10.1016/J.Bpj.2012.11.1859  0.4
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  0.44
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  1
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  1
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  1
2012 De Biase PM, Solano CJ, Markosyan S, Czapla L, Noskov SY. BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in Nanopores. Journal of Chemical Theory and Computation. 8: 2540-2551. PMID 22798730 DOI: 10.1021/Ct3004244  1
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  1
2012 Solis E, Zdravkovic I, Tomlinson ID, Noskov SY, Rosenthal SJ, De Felice LJ. 4-(4-(dimethylamino)phenyl)-1-methylpyridinium (APP+) is a fluorescent substrate for the human serotonin transporter. The Journal of Biological Chemistry. 287: 8852-63. PMID 22291010 DOI: 10.1074/Jbc.M111.267757  1
2012 Zdravkovic I, Zhao C, Lev B, Cuervo JE, Noskov SY. Atomistic models of ion and solute transport by the sodium-dependent secondary active transporters. Biochimica Et Biophysica Acta. 1818: 337-47. PMID 22138368 DOI: 10.1016/J.Bbamem.2011.10.031  1
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  1
2011 Sasseville LJ, Cuervo JE, Lapointe JY, Noskov SY. The structural pathway for water permeation through sodium-glucose cotransporters. Biophysical Journal. 101: 1887-95. PMID 22004742 DOI: 10.1016/J.Bpj.2011.09.019  1
2011 Henry LK, Iwamoto H, Field JR, Kaufmann K, Dawson ES, Jacobs MT, Adams C, Felts B, Zdravkovic I, Armstrong V, Combs S, Solis E, Rudnick G, Noskov SY, DeFelice LJ, et al. A conserved asparagine residue in transmembrane segment 1 (TM1) of serotonin transporter dictates chloride-coupled neurotransmitter transport. The Journal of Biological Chemistry. 286: 30823-36. PMID 21730057 DOI: 10.1074/Jbc.M111.250308  1
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  1
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  1
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  1
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  1
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  1
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  0.44
2010 Zhao C, Caplan DA, Noskov SY. Evaluations of the Absolute and Relative Free Energies for Antidepressant Binding to the Amino Acid Membrane Transporter LeuT with Free Energy Simulations. Journal of Chemical Theory and Computation. 6: 1900-14. PMID 26615849 DOI: 10.1021/Ct9006597  1
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  1
2010 Freedman H, Rezania V, Priel A, Carpenter E, Noskov SY, Tuszynski JA. Model of ionic currents through microtubule nanopores and the lumen. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 81: 051912. PMID 20866266 DOI: 10.1103/Physreve.81.051912  1
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  1
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  1
2010 Lev BB, Salahub DR, Noskov SY. Na(+), K (+) and Tl(+) hydration from QM/MM computations and MD simulations with a polarizable force field. Interdisciplinary Sciences, Computational Life Sciences. 2: 12-20. PMID 20640793 DOI: 10.1007/S12539-010-0097-7  1
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  1
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  1
2010 Subbotina JO, Johannes J, Lev B, Noskov SY. Halothane solvation in water and organic solvents from molecular simulations with new polarizable potential function. The Journal of Physical Chemistry. B. 114: 6401-8. PMID 20411978 DOI: 10.1021/Jp908339J  1
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  1
2010 Noskov SY, Kiselev MG, Kolker AM. Role of bound water in protein-ligand association processes Biophysics. 55: 29-34. DOI: 10.1134/S0006350910010069  1
2010 Zhang R, Lev B, Cuervo JE, Noskov SY, Salahub DR. Chapter 10 - A Guide to QM/MM Methodology and Applications Advances in Quantum Chemistry. 59. DOI: 10.1016/S0065-3276(10)59010-5  0.76
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  1
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  1
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  1
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  1
2008 De Felice LJ, Noskov S, Schnetkamp PPM. Transporters in channels Channels. 2: 305-307. PMID 19066449 DOI: 10.4161/Chan.2.5.7482  1
2008 Caplan DA, Subbotina JO, Noskov SY. Molecular mechanism of ion-ion and ion-substrate coupling in the Na+-dependent leucine transporter LeuT. Biophysical Journal. 95: 4613-21. PMID 18708457 DOI: 10.1529/Biophysj.108.139741  1
2008 Noskov SY. Molecular mechanism of substrate specificity in the bacterial neutral amino acid transporter LeuT. Proteins. 73: 851-63. PMID 18536011 DOI: 10.1002/Prot.22108  1
2008 Dai L, Chai D, Gu SQ, Gabel J, Noskov SY, Blocker FJ, Lambowitz AM, Zimmerly S. A three-dimensional model of a group II intron RNA and its interaction with the intron-encoded reverse transcriptase. Molecular Cell. 30: 472-85. PMID 18424209 DOI: 10.1016/J.Molcel.2008.04.001  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2002 Wright JD, Noskov SY, Lim C. Factors governing loss and rescue of DNA binding upon single and double mutations in the p53 core domain. Nucleic Acids Research. 30: 1563-74. PMID 11917017  1
2002 Noskov SY, Wright JD, Lim C. Long-range effects of mutating R248 to Q/W in the p53 core domain Journal of Physical Chemistry B. 106: 13047-13057. DOI: 10.1021/jp022140w  1
2001 Kiselev M, Noskov S, Puhovski Y, Kerdcharoen T, Hannongbua S. The study of hydrophobic hydration in supercritical water-methanol mixtures Journal of Molecular Graphics and Modelling. 19: 412-416. PMID 11552689 DOI: 10.1016/S1093-3263(00)00100-5  1
2001 Noskov SY, Lim C. Free energy decomposition of protein-protein interactions. Biophysical Journal. 81: 737-50. PMID 11463622 DOI: 10.1016/S0006-3495(01)75738-4  1
2001 Noskov SY, Kiselev MG, Kolker AM, Rode BM. Structure of methanol-methanol associates in dilute methanol-water mixtures from molecular dynamics simulation Journal of Molecular Liquids. 91: 157-165. DOI: 10.1016/S0167-7322(01)00157-X  1
2001 Noskov SY, Kiselev MG, Kolker AM. Structural aspects of NaCl solvation in water-methanol solutions as studied by the molecular dynamics method Zhurnal Fizicheskoj Khimii. 75: 446-453.  1
2000 Petrov VM, Petrova VN, Kislov VV, Ivanov SN, Noskov SY, Krasnov AV, Bylova ZM. Electron diffraction and quantum chemical study of the molecular structure of para-methylbenzenesulfonyl fluoride and para-methylbenzenesulfonyl bromide Journal of Structural Chemistry. 41: 939-947. DOI: 10.1023/A:1010394503675  1
1999 Petrov VM, Petrova VN, Kislov VV, Ivanov SN, Girichev GV, Noskov SY, Krasnov AV. Electron diffraction and quantum chemical study of the molecular structure of 4-methylbenzene sulfochloride Journal of Structural Chemistry. 40: 533-540.  1
1999 Noskov SY, Kiselev MG, Kolker AM. Molecular dynamic study of the anomalous behavior of heat capacity in a methanol-water mixture Journal of Structural Chemistry. 40: 253-261.  1
1997 Kislov VV, Ivanov SN, Noskov SY. Nonmonotonic Variation of Activation Parameters of Hydrolysis of p-Toluenesulfonyl Bromide in Aqueous Dioxane. Correlation with the Solvent Structure Russian Journal of General Chemistry. 67: 1247-1253.  1
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