presentations

Nikolai Smolin: presentations

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2017

    • Smolin N., Sivakumaran V. and Robia S.L. MOLECULAR DYNAMICS SIMULATIONS SUGGEST MULTIPLE BINDING SITES FOR PHOSPHOLAMBAN ON SERCA, Biophysical Society 61th Annual Meeting, February 11 - 15, 2017, New Orleans, LA, USA. (Poster)
    • Raguimova O.N., Smolin N., Blackwell D., Bovo E., Zima A. and Robia S.L. A DISCRETE LOOP OF THE SERCA N-DOMAIN INTERACTS WITH PHOSPHOLAMBAN AND STABILIZES A COMPACT CONFORMATION OF THE SERCA CYTOSOLIC HEADPIECE, Biophysical Society 61th Annual Meeting, February 11 - 15, 2017, New Orleans, LA, USA. (Poster)

2016

    • Smolin, N., Dvornikov, A.V., Martin, J.L., Robia S.L. and de Tombe P.P. Crosstalk within cardiac troponin complex with the R145W mutation in cardiac troponin I, Biophysical Society 60th Annual Meeting, February 27 - March 2, 2016, Los Angeles, CA, USA. (Talk)
    • Raguimova, O.N., Smolin, N., and Robia S.L. A Small Loop in the SERCA N-Domain Facilitates the Transition to a Compact Conformation, Biophysical Society 60th Annual Meeting, February 27 - March 2, 2016, Los Angeles, CA, USA. (Poster)

2015

    • Medvedev, N.N., Voloshin, V.P., Smolin, N., Geiger, A., and Winter R. Compressibility and Expansivity of SNase in Aqueous Solution - Molecular Dynamics Simulation and Volumetric Analysis, Joint EMLG/JMLG Meeting: Ionic Liquids Meet Molecular Liquids. From Fundamentals to Applications, September 6 - 10, 2015, Rostock, Germany. (Poster)
    • Smolin, N., and Robia S.L. A Structural Mechanism for Calcium Transporter Headpiece Closure Studied by Molecular Dynamics Simulation, Membrane Protein Structures 2015 Meeting (MPR-2015), Argonne National Laboratory, April 9 - 12, 2015, Lemont, IL, USA. (Poster and "Lightening" Talk and Poster Award)
    • Smolin, N., and Robia S.L. Molecular Dynamics Simulation of Calcium Pump Structural Disorder, Biophysical Society 59th Annual Meeting, February 7 - 11, 2015, Baltimore, MD, USA. (Poster)
    • Sivakumaran, V., Smolin, N., and Robia S.L. Characterizing Protein Binding of Phospholamban to SERCA using Chemical Cross-Linking, Biophysical Society 59th Annual Meeting, February 7 - 11, 2015, Baltimore, MD, USA. (Poster)

2014

    • Smolin, N. and Robia S.L. Conformational flexibility of the SERCA studied by molecular dynamics simulations., Gordon Research Conference: Membrane Transport Proteins, July 13 - 18, 2014, West Dover, VT, USA. (Poster)
    • Smolin, N., Abrol, N. and Robia S.L. Molecular Dynamics Simulation of SERCA and PLB Oligomers, Biophysical Society 58th Annual Meeting, February 15 - 19, 2014, San-Francisco, CA, USA. (Poster)
    • Abrol, N., Smolin, N., Ceholski, D.K., Young, H.S. and Robia S.L. Phospholamban C-Terminal Truncations Including Heart Failure Mutation L39Stop Decrease Membrane Localization and Oligomerization and Alter the Structure of the PLB-Serca Complex, Biophysical Society 58th Annual Meeting, February 15 - 19, 2014, San-Francisco, CA, USA. (Poster)

2013

    • Smolin, N. and Robia S.L. Molecular Dynamics Simulation of SERCA, Gordon Research Conference: Proteins, June 16 - 21, 2013, Holderness School, Holderness, NH, USA. (Poster)
    • Abrol, N., Smolin, N. , Mazurek S., Hou Z., Zima, A. and Robia S.L. The Role of Heart Failure-Causing Phospholamban R9C Mutation in SERCA Disfunction and Cardiac Ca2+ Mishandling, Biophysical Society 57th Annual Meeting, February 2 - 6, 2013, Philadelphia, PA, USA. (Talk)
    • Smolin, N. and Robia S.L. Molecular Modeling of SERCA Dynamics and Interactions, Biophysical Society 57th Annual Meeting, February 2 - 6, 2013, Philadelphia, PA, USA. (Poster)

2012

    • Smolin, N. Characterizing the Conformations and Dynamics of PEGylated Human Interferon ß-1a via Molecular Dynamics Simulation, 93rd AAAS Pacific Division Annual meeting, June 24 - 27, 2012, Boise, ID, USA. (Talk)

2011

    • Smolin, N. and Smith, J.C. Domain Motions in the interpretation of Neutron Spin Echo Spectroscopy and Molecular Dynamic Simulation: A case Study of Phosphoglycerate Kinase, Biophysical Society 55th Annual Meeting, March 5 - 9, 2011, Baltimore, MD, USA. (Poster)

2010

    • Smolin, N. , Lidner, B., Guo, H.B. and Smith, J.C. Integration of Computer Simulation and Netron Scattering in the Characterization of Protein Dynamics, Biophysical Society 54th Annual Meeting, February 20 - 24, 2010, San Francisco, CA, USA. (Poster)
    • Smolin, N. and Smith, J.C. Combining Molecular Dynamics simulations with Neutron Spin Echo experiments, Summer School in Biophysics at ORNL: Computational and Experimental Challenges, July 7 - 10, 2010, Knoxville, TN, USA. (Poster)
    • Smolin, N. and Smith, J.C. Molecular Dynamics Simulations of Proteins in Aqueous Solutions, Gordon Research Conference on Water & Aqueous Solutions, August 8 - 13, 2010, Holderness School, Holderness, NH, USA. (Poster)

2009

    • Smolin, N. and Smith, J.C. Combining Molecular Dynamics simulations with Neutron Scattering and Dielectric Spectroscopy experiments, Summer School in Biophysics at ORNL: Computational and Experimental Challenges, August 3 - 5, 2009, Knoxville, TN, USA. (Poster)
    • Smolin, N. , Lidner, B., Guo, H.B. and Smith, J.C. Domain motions in the interpretation of neutron spin echo spectroscopy, Workshop on Neutron Spin Echo Spectroscopy, November 4 - 5, 2009, ORNL, Oak Ridge, TN, USA. (Poster)

2008

    • Smolin, N. and Daggett, V. Computer simulation studies of the aqueous solutions of cryoprotectant agents, Gordon Research Conference on Water & Aqueous Solutions, June 27 - August 1, 2008, Holderness School, Holderness, NH, USA. (Poster)

2007

    • Smolin, N. Role of hydration water in biological functions: percolation transition of hydration water in biosystems, University of Wisconsin, Department of Physics (colloquia), May 4, 2007, Milwaukee, USA. (Invited Talk)

2006

    • Smolin, N.; Brovchenko, I.; Oleinikova, A. and Winter, R. Influence of a Spanning Water Network on the Dynamical Properties of Hydration Water, 3rd International Workshop on Dynamics in Confinement, March 23-26, 2006, Grenoble, France. (Poster)
    • Smolin, N. Role of Hydration Water for Biological Function: Formation of Spanning Water Networks via Percolation Transition, NIC seminars, John von Neumann Institute for Computing, February 14, 2006, Juelich, Germany. (Talk)

2005

    • Smolin, N. and Winter, R. Structural and Dynamic Properties of the Protein-Water Interface – A Molecular Dynamics Study, THPPS 2005 - Trends in High Pressure Protein Science, September 1-3, 2005, Montpellier, France. (Talk)
    • Smolin, N.; Oleinikova, A.; Brovchenko, I.; Geiger, A. and Winter, R. On the Percolation Transition of Water in Hydrated Lysozyme, 15th IUPAB, 5th EBSA International Biophysics Congress, August 27- September 1, 2005, Montpellier, France. (Poster)
    • Brovchenko, I.; Oleinikova, A.; Smolin, N.; Geiger, A. and Winter, R. Studies of the Percolating Network of Hydration Water by Computer Simulation, 15th IUPAB, 5th EBSA International Biophysics Congress, August 27- September 1, 2005, Montpellier, France. (Poster)
    • Smolin, N.; Oleinikova, A.; Brovchenko, I.; Geiger, A. and Winter, R. Percolation transition of hydration water on protein surfaces, 6th Liquid Matter Conference, July 2-6, 2005, Utrecht, Netherlands. (Poster)
    • Smolin, N.; Oleinikova, A.; Brovchenko, I.; Geiger, A. and Winter, R. Formation and Properties of Spanning Water Networks on the Surface of Protein Molecule, Bunsentagung 2005, Mai 5-7, 2005, Frankfurt-am-Main, Germany. (Talk)
    • Smolin, N.; Oleinikova, A.; Brovchenko, I.; Geiger, A. and Winter, R. Percolation of Water in Hydrated Proteins. I. 2D Percolation Transition of Water in Lysozyme Powders, Symposium: Chemical Biology across the Frontiers, March 10-11, 2005, Stevenage, England. (Poster)
    • Oleinikova, A.; Smolin, N.; Brovchenko, I.; Geiger, A. and Winter, R. Percolation of water in hydrated proteins. II. Spanning water network at the surface of a single protein molecule, Symposium: Chemical Biology across the Frontiers, March 10-11, 2005, Stevenage, England. (Poster)
    • Brovchenko, I.; Krukau, A.; Smolin, N.; Oleinikova, A.; Geiger, A. and Winter, R. Percolation of Water in Hydrated Proteins. III. Thermal breakup of the hydration water network, Symposium: Chemical Biology across the Frontiers, March 10-11, 2005, Stevenage, England. (Poster)

2004

    • Smolin, N.; Oleinikova, A.; Brovchenko, I.; Geiger, A. and Winter, R. Formation of Spanning Water Networks on Protein Surfaces via 2D percolation Transition, Workshop Graduiertenkolleg: Struktur-Dynamik Beziehungen in mikrostrukturierten Systemen, December 14, 2004, Witten, Germany. (Talk)
    • Smolin, N.; Oleinikova, A.; Brovchenko, I.; Geiger, A. and Winter, R. Formation of Percolating Water Networks on Protein Surfaces, Kolloquium Graduiertenkolleg: Struktur-Dynamik Beziehungen in mikrostrukturierten Systemen, June 25, 2004, Dortmund, Germany. (Talk)
    • Smolin, N. and Winter, R. Molecular Dynamics Simulations of Staphylococcal Nuclease: The Properties of Water at the Protein, Antragskolloquium zur DFG-Forschergruppe FOR 436 : Polymorphismus, Dynamik und Funktion von Wasser an molekularen Grenzflaechen, March 11-12, 2004, Dortmund, Germany. (Poster)

2003

    • Smolin, N. and Winter, R. Molecular Dynamics Simulations of Staphylococcal Nuclease: The Protein-Solvent System, the Properties of Water at the Protein Surface and the Temperature- and Pressure-Induced Unfolding of the Protein, International Bunsen Discussion Meeting: Interfacial Water in Chemistry and Biology, September 19-23, 2003, Velen, Germany. (Poster)
    • Smolin, N. and Winter, R. Molecular Dynamics Simulations of the Temperature- and Pressure-Induced Unfolding and Denaturation of Staphylococcal Nuclease, Bunsentagung 2003, Mai 29-31, 2003, Kiel, Germany. (Poster)
    • Smolin, N. and Winter, R. Structural and Dynamical Properties of Water at the Protein-Solvent Interface, Workshop Graduiertenkolleg: Struktur-Dynamik Beziehungen in mikrostrukturierten Systemen, April 9, 2003, Witten, Germany. (Talk)
    • Gelchinski, B.R.; Mirzoev, A.A.; Smolin, N.P.; Vyatkin, G.P. The computer simulation of the short range order atomic structure of liquid Li-Si and analyse of atomic structure by Voronoi polyhedron method, Abstracts of the International conference Thermodynamics 2003, April 9-11, 2003, Cambridge, UK. (Poster)
    • Smolin, N. and Czeslik, C. Molecular Dynamics Simulation of Liquid dimethyl sulfoxide: effect of confinement on the Raman Noncoincidence, 2nd International Workshop on Dynamics in Confinement, January 22-25, 2003, Grenoble, France. (Poster)

2002

    • Smolin, N. and Winter, R. Molecular Dynamics Simulations of the Temperature- and Pressure-Induced Denaturation of Staphylococcal Nuclease, Winter School: Quantum Simulations of Complex Many – Body Systems: From Theory to Algorithms, February 25 – March 1, 2002, Kerkrade, Netherlands. (Poster)

2001

    • Мирзоев, А.А.; Гельчинский, Б.Р.; Смолин, Н.П. Расчет колебательных спектров и скорости звука в расплавах галлия методом рекурсии, Труды X Российской конференции: Строение и свойства металлических и шлаковых расплавов, Т.2, С.204, 2001, Екатеринбург, Россия. (Poster)
    • Smolin, N.P.; Gelchinski, B.R.; Mirzoev, A.A.; Dyuldina, E.V. The analyze of short-range-order atomic structure of liquid metals by Voronoi polyhedron method and checkout of an adequacy of the results gained by the RMC method, Abstracts of Eleven International conference on liquid and amorphous metals (LAM 11), September 9-14, 2001, Yokohama, Japan. (Poster)
    • Smolin, N.P.; Gelchinski, B.R.; Mirzoev, A.A. Computer simulations of vibrational spectrum and sound velosity in liquid cesium up to critical point, Abstracts of Eleven International conference on liquid and amorphous metals (LAM 11), September 9-14, 2001, Yokohama, Japan. (Poster)
    • Гельчинский, Б.Р.; Мирзоев, А.А.; Воронцов, А.С.; Смолин, Н.П. Определение теплофизических свойств жидких металлов методами математического моделирования с использованием данных высокотемпературного дифракционного эксперимента, Тезисы докладов международного семинара: Теплофизические свойства веществ (жидкие металлы и сплавы), С.118, июнь 11-15, 2001, Нальчик, Россия. (Poster)

2000

    • Gelchinski, B.R.; Mirzoev, A.A.; Smolin, N.P.; Vyatkin, G.P. Change of short-order in liquid metals and alloys as function of temperature and composition: Application of computer simulation and of the Voronoi polyhedron methods, Proceedings of the International Conference on Mathematical Modeling and Simulation of Metal Technologies, November 13-15, 2000, Ariel, Israel. (Poster)