Search Results - "Katkova, E.V."

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  1. 1

    Full-atomistic nanoscale modeling of the ion beam sputtering deposition of SiO2 thin films by Grigoriev, F.V., Sulimov, A.V., Katkova, E.V., Kochikov, I.V., Kondakova, O.A., Sulimov, V.B., Tikhonravov, A.V.

    Published in Journal of non-crystalline solids (15-09-2016)
    “…The previously developed high-performance parallel method of the atomistic simulation of the ion beam sputtering deposition process is applied to the SiO2 thin…”
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    Journal Article
  2. 2
  3. 3

    Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding by Katkova, E.V., Onufriev, A.V., Aguilar, B., Sulimov, V.B.

    Published in Journal of molecular graphics & modelling (01-03-2017)
    “…[Display omitted] •Implicit solvent models are compared with each other and with the explicit solvent.•Choice of solvation model parameters has strong…”
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    Journal Article
  4. 4

    Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7 by Sulimov, A. V., Kutov, D. C., Katkova, E. V., Sulimov, V. B.

    Published in Advances in Bioinformatics (2017)
    “…Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking…”
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    Journal Article
  5. 5

    Application of Molecular Modeling to Urokinase Inhibitors Development by Sulimov, V. B., Katkova, E. V., Oferkin, I. V., Sulimov, A. V., Romanov, A. N., Roschin, A. I., Beloglazova, I. B., Plekhanova, O. S., Tkachuk, V. A., Sadovnichiy, V. A.

    Published in BioMed research international (01-01-2014)
    “…Urokinase-type plasminogen activator (uPA) plays an important role in the regulation of diverse physiologic and pathologic processes. Experimental research has…”
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    Journal Article
  6. 6

    Molecular Modeling as a New Approach to the Development of Urokinase Inhibitors by Beloglazova, I. B., Plekhanova, O. S., Katkova, E. V., Rysenkova, K. D., Stambol’skii, D. V., Sulimov, V. B., Tkachuk, V. A.

    “…Proteolytic activity of urokinase plays an important role in negative remodeling of blood vessels, restenosis, tumor angiogenesis, and metastasizing, which…”
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    Journal Article
  7. 7

    Supercomputer investigation of the protein-ligand system low-energy minima by Oferkin, I V, Sulimov, A V, Katkova, E V, Kutov, D K, Grigoriev, F V, Kondakova, O A, Sulimov, V B

    Published in Biomeditsinskaia khimiia (01-11-2015)
    “…The accuracy of the protein-ligand binding energy calculations and ligand positioning is strongly influenced by the choice of the docking target function. This…”
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    Journal Article
  8. 8

    Electroforming and electron emission from a thin film MIM structure by Troyan, P.E., Katkova, E.V.

    “…Cold emitters based on thin film metal-insulator-metal (MIM) structures are of some interest to vacuum microelectronics purposes because of their low response…”
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    Conference Proceeding