Nikolay Simakov, Ph.D.

Affiliations: 
2010 Carnegie Mellon University, Pittsburgh, PA 
Area:
Molecular Chemistry
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"Nikolay Simakov"
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Maria Kurnikova grad student 2010 Carnegie Mellon
 (Theoretical Modeling of Current-Voltage Characteristics of Biological Ion Channels.)
Maria G Kurnikova grad student 2004-2010 Carnegie Mellon
 (Theoretical Modeling of Current-Voltage Characteristics of Biological Ion Channels.)
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Publications

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Simakov NA, Kurnikova MG. (2018) Membrane Position Dependency of the pKa and Conductivity of the Protein Ion Channel. The Journal of Membrane Biology
Simakov NA, Leonard DA, Smith JC, et al. (2016) A Distal Disulfide Bridge in OXA-1 β-Lactamase Stabilizes the Catalytic Center and Alters the Dynamics of Specificity Determining Ω Loop. The Journal of Physical Chemistry. B
Kurnikov IV, Kyrychenko A, Flores-Canales JC, et al. (2013) pH-triggered conformational switching of the diphtheria toxin T-domain: the roles of N-terminal histidines. Journal of Molecular Biology. 425: 2752-64
Simakov NA, Kurnikova MG. (2013) Graphical Processing Unit accelerated Poisson equation solver and its application for calculation of single ion potential in ion-channels Computational and Mathematical Biophysics. 1: 151-163
Flores-Canales JC, Kurnikov I, Simakov N, et al. (2011) Mechanism of the pH-Triggered Formation of Membrane-Competent State of the Diphtheria Toxin Translocation Domain Revealed by Simulations and Experiment Biophysical Journal. 100: 206a
Simakov NA, Kurnikova MG. (2010) Soft wall ion channel in continuum representation with application to modeling ion currents in α-hemolysin. The Journal of Physical Chemistry. B. 114: 15180-90
Simakov NA, Kurnikova MG. (2010) Extension of Poisson-Nernst Planck Theory of Ion Conductivity with Soft-Repulsion Potential between Ions and Protein. Sensitivity of I-V Properties of α-Hemolysin Channel on its Penetration Depth into Membrane Biophysical Journal. 98: 333a
Simakov NA, Kurnikova MG. (2009) Calculation of Current-Voltage properties of Biological Ion Channel, using Poisson-Nernst-Planck (PNP) Theory Biophysical Journal. 96: 662a
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