Maxim Fedorov

Professor

  1. Hydration free energies of molecular ions from theory and simulation

    Misin, M., Fedorov, M. & Palmer, D. 11 Feb 2016 In : Journal of Physical Chemistry B. 120, 5, p. 975-983 9 p.

    Research output: Contribution to journalArticle

  2. Molecular sinkers: x-ray photoemission and atomistic simulations of benzoic acid and benzoate at the aqueous solution/vapor interface

    Ottosson, N., Romanova, A. O., Soderstrom, J., Bjorneholm, O., Ohrwall, G. & Fedorov, M. V. 1 Nov 2012 In : Journal of Physical Chemistry B. 116, 43, p. 13017-13023 7 p.

    Research output: Contribution to journalArticle

  3. First principles calculation of the intrinsic aqueous solubility of crystalline druglike molecules

    Palmer, D., McDonagh, J. L., Mitchell, J. B. O., van Mourik, T. & Fedorov, M. 11 Sep 2012 In : Journal of Chemical Theory and Computation . 8, 9, p. 3322–3337 16 p.

    Research output: Contribution to journalArticle

  4. Multigrid solver for the reference interaction site model of molecular liquids theory

    Sergiievskyi, V. P., Hackbusch, W. & Fedorov, M. V. 15 Jul 2011 In : Journal of Computational Chemistry . 32, 9, p. 1982-1992 11 p.

    Research output: Contribution to journalArticle

  5. Hydration thermodynamics using the reference interaction site model: speed or accuracy?

    Frolov, A. I., Ratkova, E. L., Palmer, D. & Fedorov, M. V. 19 May 2011 In : Journal of Physical Chemistry B. 115, 19, p. 6011-6022 12 p.

    Research output: Contribution to journalArticle

  6. Accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model

    Palmer, D., Ratkova, E. L., Frolov, A. I., Sergiievskyi, V. P. & Fedorov, M. V. 27 Mar 2011 In : Abstracts of papers - American Chemical Society. 241, p. - 1 p.

    Research output: Contribution to journalSpecial issue

  7. Reference interaction site model with structural descriptors correction as an efficient tool for hydration free energy predictions

    Ratkova, E. L., Sergiievskyi, V. P., Chuev, G. N. & Fedorov, M. V. 27 Mar 2011 In : Abstracts of papers - American Chemical Society. 241, p. - 1 p.

    Research output: Contribution to journalSpecial issue

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