Paulius Mikulskis

According to our database, Paulius Mikulskis authored at least 7 papers between 2012 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2019

Toward Interpretable Machine Learning Models for Materials Discovery.

Paulius Mikulskis, Morgan R. Alexander, David A. Winkler

Adv. Intell. Syst., 2019

2018

Can MM/GBSA calculations be sped up by system truncation?

Majda Misini Ignjatovic, Paulius Mikulskis, Pär Söderhjelm, Ulf Ryde

J. Comput. Chem., 2018

2014

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

Paulius Mikulskis, Samuel Genheden, Ulf Ryde

J. Chem. Inf. Model., 2014

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

Paulius Mikulskis, Daniela Cioloboc, Milica Andrejic, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm, Ulf Ryde

J. Comput. Aided Mol. Des., 2014

2012

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

Samuel Genheden, Oliver Kuhn, Paulius Mikulskis, Daniel Hoffmann, Ulf Ryde

J. Chem. Inf. Model., 2012

A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections.

Paulius Mikulskis, Samuel Genheden, Karin Wichmann, Ulf Ryde

J. Comput. Chem., 2012

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, Lars Sandberg, Lars Olsen, Ulf Ryde

J. Comput. Aided Mol. Des., 2012