1992 …2018

Research output per year

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Research Output

Biologically important conformational features of DNA as interpreted by quantum mechanics and molecular mechanics computations of its simple fragments

Poltev, V., Anisimov, V. M., Dominguez, V., Gonzalez, E., Deriabina, A., Garcia, D., Rivas, F. & Polteva, N. A., Feb 1 2018, In : Journal of Molecular Modeling. 24, 2, 46.

Research output: Contribution to journalArticle

  • Analysis of Conformational Features of Watson-Crick Duplex Fragments by Molecular Mechanics and Quantum Mechanics Methods

    Poltev, V. I., Anisimov, V. M., Sanchez, C., Deriabina, A., Gonzalez, E., Garcia, D., Rivas, F. & Polteva, N. A., Mar 1 2016, In : Biofizika. 61, 2, p. 259-269 11 p.

    Research output: Contribution to journalArticle

  • Analysis of the conformational features of Watson–Crick duplex fragments by molecular mechanics and quantum mechanics methods

    Poltev, V. I., Anisimov, V. M., Sanchez, C., Deriabina, A., Gonzalez, E., Garcia, D., Rivas, F. & Polteva, N. A., Mar 1 2016, In : Biophysics (Russian Federation). 61, 2, p. 217-226 10 p.

    Research output: Contribution to journalArticle

  • CDD: Computational discovery desktop

    Anisimov, V., Hallock, M. J. & Pogorelov, T. V., Jul 26 2015, Proceedings of the XSEDE 2015 Conference: Scientific Advancements Enabled by Enhanced Cyberinfrastructure. Association for Computing Machinery, a43. (ACM International Conference Proceeding Series; vol. 2015-July).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  • Optimization of the coupled cluster implementation in nwchem on petascale parallel architectures

    Anisimov, V. M., Bauer, G. H., Chadalavada, K., Olson, R. M., Glenski, J. W., Kramer, W. T. C., Aprà, E. & Kowalski, K., Oct 14 2014, In : Journal of Chemical Theory and Computation. 10, 10, p. 4307-4316 10 p.

    Research output: Contribution to journalArticle