Volodymyr P. Sergiievskyi

Solvation free-energy pressure corrections in the three dimensional reference interaction site model

Volodymyr P. Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque et al. · The Journal of Chemical Physics · 2015 · 84 citations · Full text

Engineering, Computational Chemistry, Chemistry +16

An Accurate Prediction of Hydration Free Energies by Combination of Molecular Integral Equations Theory with Structural Descriptors

Ekaterina L. Ratkova, Gennady N. Chuev, Volodymyr P. Sergiievskyi et al. · The Journal of Physical Chemistry B · 2010 · 83 citations

Engineering, Chemical Analysis, Computational Chemistry +20

Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections

Volodymyr P. Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque et al. · The Journal of Physical Chemistry Letters · 2014 · 80 citations · Full text

Engineering, Grand Canonical, Computational Chemistry +17

Accurate calculations of the hydration free energies of druglike molecules using the reference interaction site model

David Scott Palmer, Volodymyr P. Sergiievskyi, Frank Jensen et al. · The Journal of Chemical Physics · 2010 · 61 citations

Engineering, Computational Chemistry, Chemistry +18

3DRISM Multigrid Algorithm for Fast Solvation Free Energy Calculations

Volodymyr P. Sergiievskyi, Maxim V. Fedorov · Journal of Chemical Theory and Computation · 2012 · 30 citations

Engineering, Small Organic Compounds, Energy Conversion +16