Martin Smieško

ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 28

Top Venues

Journal of chemical information and modeling

International journal of molecular sciences

Molecules (Basel, Switzerland)

Journal of natural products

University of Basel

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Basel Aug 01 2019

Switzerland

Senior Scientist :: Pharmaceutical Sciences

University of Basel Sep 01 2016 - Jul 31 2019

Switzerland

Molecular Modeling Group Leader :: Pharmaceutical Sciences

Publications

Beatrice Wagner, Florian P C Binder, Xiaohua Jiang, Tobias Mühlethaler, Roland C Preston, Said Rabbani, Martin Smieško, Oliver Schwardt, Beat Ernst
A Structural-Reporter Group to Determine the Core Conformation of Sialyl Lewis x Mimetics. Molecules (Basel, Switzerland) 28 (6) (2023)
Beatrice Wagner, Florian P C Binder, Xiaohua Jiang, Tobias Mühlethaler, Roland C Preston, Said Rabbani, Martin Smieško, Oliver Schwardt, Beat Ernst
A Structural-Reporter Group to Determine the Core Conformation of Sialyl Lewis x Mimetics. Molecules (Basel, Switzerland) 28 (6) (2023)
Beatrice Wagner, Florian P C Binder, Xiaohua Jiang, Tobias Mühlethaler, Roland C Preston, Said Rabbani, Martin Smieško, Oliver Schwardt, Beat Ernst
A Structural-Reporter Group to Determine the Core Conformation of Sialyl Lewis x Mimetics. Molecules (Basel, Switzerland) 28 (6) (2023)
André Fischer, Ferhat Bardakci, Manuel Sellner, Markus A Lill, Martin Smieško
Ligand pathways in estrogen-related receptors. Journal of biomolecular structure & dynamics (2022)
Lara Dürr, Jakob K Reinhardt, Maciej Dobrzyński, Tanja Hell, Martin Smieško, Olivier Pertz, Matthias Hamburger, Eliane Garo
A Dimerosesquiterpene and Sesquiterpene Lactones from Artemisia argyi Inhibiting Oncogenic PI3K/AKT Signaling in Melanoma Cells. Journal of natural products 85 (11) (2022)
Christina Lamers, Xiaoguang Xue, Martin Smieško, Henri van Son, Bea Wagner, Nadja Berger, Georgia Sfyroera, Piet Gros, John D Lambris, Daniel Ricklin
Insight into mode-of-action and structural determinants of the compstatin family of clinical complement inhibitors. Nature communications 13 (1) (2022)
André Fischer, Martin Smieško
A Conserved Allosteric Site on Drug-Metabolizing CYPs: A Systematic Computational Assessment. International journal of molecular sciences 22 (24) (2021)
André Fischer, Florian Häuptli, Markus A Lill, Martin Smieško
Computational Assessment of Combination Therapy of Androgen Receptor-Targeting Compounds. Journal of chemical information and modeling 61 (2) (2021)
Katarzyna Papaj, Patrycja Spychalska, Katarzyna Żurawska, Patryk Kapica, Andre Fisher, Markus A Lill, Weronika Bagrowska, Jakub Nowak, Katarzyna Szleper, Martin Smieško, Anna Kasprzycka, Artur Góra
Investigation of Thiocarbamates as Potential Inhibitors of the SARS-CoV-2 Mpro. Pharmaceuticals (Basel, Switzerland) 14 (11) (2021)
André Fischer, Martin Smieško, Manuel Sellner, Markus A Lill
Decision Making in Structure-Based Drug Discovery: Visual Inspection of Docking Results. Journal of medicinal chemistry 64 (5) (2021)
André Fischer, Gabriela Frehner, Markus A Lill, Martin Smieško
Conformational Changes of Thyroid Receptors in Response to Antagonists. Journal of chemical information and modeling 61 (2) (2021)
Manuel Sellner, Andre Fischer, Charleen G Don, Martin Smieško
Conformational Landscape of Cytochrome P450 Reductase Interactions. International journal of molecular sciences 22 (3) (2021)
André Fischer, Manuel Sellner, Karolina Mitusińska, Maria Bzówka, Markus A Lill, Artur Góra, Martin Smieško
Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2. International journal of molecular sciences 22 (4) (2021)
Jakob K Reinhardt, Amy M Zimmermann-Klemd, Ombeline Danton, Martin Smieško, Carsten Gründemann, Matthias Hamburger
Compounds from Toddalia asiatica: Immunosuppressant Activity and Absolute Configurations. Journal of natural products 83 (10) (2020)
André Fischer, Manuel Sellner, Santhosh Neranjan, Martin Smieško, Markus A Lill
Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds. International journal of molecular sciences 21 (10) (2020)
Charleen G Don, Martin Smieško
Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations. Journal of chemical information and modeling 60 (12) (2020)
André Fischer, Martin Smieško
Allosteric Binding Sites On Nuclear Receptors: Focus On Drug Efficacy and Selectivity. International journal of molecular sciences 21 (2) (2020)
André Fischer, Martin Smieško
Ligand Pathways in Nuclear Receptors. Journal of chemical information and modeling 59 (7) (2019)
Joel Wahl, Martin Smieško
Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules. Journal of chemical information and modeling 59 (2) (2019)
André Fischer, Martin Smieško
Spontaneous Ligand Access Events to Membrane-Bound Cytochrome P450 2D6 Sampled at Atomic Resolution. Scientific reports 9 (1) (2019)
Jakob K Reinhardt, Amy M Klemd, Ombeline Danton, Maria De Mieri, Martin Smieško, Roman Huber, Thomas Buergi, Carsten Gründemann, Matthias Hamburger
Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant Activity. Journal of natural products 82 (6) (2019)
André Fischer, Charleen G Don, Martin Smieško
Molecular Dynamics Simulations Reveal Structural Differences among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6. Journal of chemical information and modeling 58 (9) (2018)
Charleen G Don, Martin Smieško
Microsecond MD simulations of human CYP2D6 wild-type and five allelic variants reveal mechanistic insights on the function. PloS one 13 (8) (2018)
Joel Wahl, Martin Smieško
Endocrine Disruption at the Androgen Receptor: Employing Molecular Dynamics and Docking for Improved Virtual Screening and Toxicity Prediction. International journal of molecular sciences 19 (6) (2018)
Joel Wahl, Martin Smieško
Thermodynamic Insight into the Effects of Water Displacement and Rearrangement upon Ligand Modifications using Molecular Dynamics Simulations. ChemMedChem 13 (13) (2018)
Christoph P Sager, Deniz Eriş, Martin Smieško, Rachel Hevey, Beat Ernst
What contributes to an effective mannose recognition domain? Beilstein journal of organic chemistry 13 (2017)
Thomas Aeschbacher, Mirko Zierke, Martin Smieško, Mayeul Collot, Jean-Maurice Mallet, Beat Ernst, Frédéric Hai-Trieu Allain, Mario Schubert
A Secondary Structural Element in a Wide Range of Fucosylated Glycoepitopes. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (48) (2017)
Maria De Mieri, Martin Smieško, Isidor Ismajili, Marcel Kaiser, Matthias Hamburger
Acid-Induced Rearrangement of Epoxygermacranolides: Synthesis of Furanoheliangolides and Cadinanes from Nobilin. Molecules (Basel, Switzerland) 22 (12) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Martin Smieško