Paulius Mikulskis

The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant

Samuel Genheden, Oliver Kühn, Paulius Mikulskis et al. · Journal of Chemical Information and Modeling · 2012 · 212 citations · Full text

Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host–guest binding energies

Paulius Mikulskis, Daniela Cioloboc, Milica Andrejić et al. · Journal of Computer-Aided Molecular Design · 2014 · 90 citations · Full text

Natural Sciences, Physical Chemistry, Molecular Mechanic +6

A Large-Scale Test of Free-Energy Simulation Estimates of Protein–Ligand Binding Affinities

Paulius Mikulskis, Samuel Genheden, Ulf Ryde · Journal of Chemical Information and Modeling · 2014 · 65 citations · Full text

Engineering, Molecular Biology, Computational Chemistry +20

Accurate Predictions of Nonpolar Solvation Free Energies Require Explicit Consideration of Binding-Site Hydration

Samuel Genheden, Paulius Mikulskis, Lihong Hu et al. · Journal of the American Chemical Society · 2011 · 58 citations · Full text

Binding affinities in the SAMPL3 trypsin and host–guest blind tests estimated with the MM/PBSA and LIE methods

Paulius Mikulskis, Samuel Genheden, Patrik Rydberg et al. · Journal of Computer-Aided Molecular Design · 2011 · 52 citations · Full text

Natural Sciences, Host–guest Blind Tests, Molecular Biology +5