Paulius Mikulskis

Publication Activity (10 Years)

Years Active: 2012-2019
Publications (10 Years): 2

Top Topics

Machine Learning Models

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Adv. Intell. Syst.

Publications

Paulius Mikulskis, Morgan R. Alexander, Dave Winkler
Toward Interpretable Machine Learning Models for Materials Discovery. Adv. Intell. Syst. 1 (8) (2019)
Majda Misini Ignjatovic, Paulius Mikulskis, Pär Söderhjelm, Ulf Ryde
Can MM/GBSA calculations be sped up by system truncation? J. Comput. Chem. 39 (7) (2018)
Paulius Mikulskis, Daniela Cioloboc, Milica Andrejic, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm, Ulf Ryde
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies. J. Comput. Aided Mol. Des. 28 (4) (2014)
Paulius Mikulskis, Samuel Genheden, Ulf Ryde
A Large-Scale Test of Free-Energy Simulation Estimates of Protein-Ligand Binding Affinities. J. Chem. Inf. Model. 54 (10) (2014)
Paulius Mikulskis, Samuel Genheden, Karin Wichmann, Ulf Ryde
A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections. J. Comput. Chem. 33 (12) (2012)
Samuel Genheden, Oliver Kuhn, Paulius Mikulskis, Daniel Hoffmann, Ulf Ryde
The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant. J. Chem. Inf. Model. 52 (8) (2012)
Paulius Mikulskis, Samuel Genheden, Patrik Rydberg, Lars Sandberg, Lars Olsen, Ulf Ryde
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods. J. Comput. Aided Mol. Des. 26 (5) (2012)