Martin Smiesko
Orcid: 0000-0003-2758-2680
According to our database1,
Martin Smiesko
authored at least 12 papers
between 2004 and 2021.
Collaborative distances:
Collaborative distances:
Timeline
Legend:
Book In proceedings Article PhD thesis Dataset OtherLinks
Online presence:
On csauthors.net:
Bibliography
2021
Computational Assessment of Combination Therapy of Androgen Receptor-Targeting Compounds.
J. Chem. Inf. Model., 2021
J. Chem. Inf. Model., 2021
2020
Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations.
J. Chem. Inf. Model., 2020
2019
Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules.
J. Chem. Inf. Model., 2019
2018
Molecular Dynamics Simulations Reveal Structural Differences among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6.
J. Chem. Inf. Model., 2018
2017
Searching for bioactive conformations of drug-like ligands with current force fields: how good are we?
J. Cheminformatics, 2017
2013
DOLINA - Docking Based on a Local Induced-Fit Algorithm: Application toward Small-Molecule Binding to Nuclear Receptors.
J. Chem. Inf. Model., 2013
2011
J. Chem. Inf. Model., 2011
2005
Thermodynamic Descriptors Derived from Density Functional Theory Calculations in Prediction of Aquatic Toxicity.
J. Chem. Inf. Model., 2005
2004
Predictive Models for Aquatic Toxicity of Aldehydes Designed for Various Model Chemistries.
J. Chem. Inf. Model., 2004