Martin Smiesko

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2021 J jnl
Computational Assessment of Combination Therapy of Androgen Receptor-Targeting Compounds.
J. Chem. Inf. Model.
André Fischer, Florian Häuptli, Markus A. Lill, Martin Smiesko
2021 J jnl
Conformational Changes of Thyroid Receptors in Response to Antagonists.
J. Chem. Inf. Model.
André Fischer, Gabriela Frehner, Markus A. Lill, Martin Smiesko
2020 J jnl
Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations.
J. Chem. Inf. Model.
Charleen G. Don, Martin Smiesko
2019 J jnl
Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules.
J. Chem. Inf. Model.
Joel Wahl, Martin Smiesko
2019 J jnl
Ligand Pathways in Nuclear Receptors.
J. Chem. Inf. Model.
André Fischer, Martin Smiesko
2018 J jnl
Molecular Dynamics Simulations Reveal Structural Differences among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6.
J. Chem. Inf. Model.
André Fischer, Charleen G. Don, Martin Smiesko
2017 J jnl
Searching for bioactive conformations of drug-like ligands with current force fields: how good are we?
J. Cheminformatics
Oya Gürsoy, Martin Smiesko
2013 J jnl
DOLINA - Docking Based on a Local Induced-Fit Algorithm: Application toward Small-Molecule Binding to Nuclear Receptors.
J. Chem. Inf. Model.
Martin Smiesko
2011 J jnl
AcquaAlta: A Directional Approach to the Solvation of Ligand-Protein Complexes.
J. Chem. Inf. Model.
Gianluca Rossato, Beat Ernst, Angelo Vedani, Martin Smiesko
2005 J jnl
QSAR Model for Predicting Pesticide Aquatic Toxicity.
J. Chem. Inf. Model.
Paolo Mazzatorta, Martin Smiesko, Elena Lo Piparo, Emilio Benfenati
2005 J jnl
Thermodynamic Descriptors Derived from Density Functional Theory Calculations in Prediction of Aquatic Toxicity.
J. Chem. Inf. Model.
Martin Smiesko, Emilio Benfenati
2004 J jnl
Predictive Models for Aquatic Toxicity of Aldehydes Designed for Various Model Chemistries.
J. Chem. Inf. Model.
Martin Smiesko, Emilio Benfenati