I am a postdoctoral researcher of the Computational Drug Discovery group lead by Prof. Dr. Gerard J.P. van Westen. However, I am also affiliated with the University of Chemistry and Technology, Prague where I am involved with the Department of Informatics and Chemistry lead by Prof. Dr. Daniel Svozil. In my previous work, I developed machine learning models for the prediction of regioselectivity of metabolic enzymes, but more recently I have been focusing on the development and application of tools and algorithms for de novo drug design. During my postdoc in Leiden, I will be working on the integration of novel de novo drug design approaches within a unqiue cheminformatics framework that will be used to search for novel modulators of G-protein coupled receptors as well as other proteins of interest in a collaboration with the groups of Medicinal Chemistry (lead by Prof. Dr. Adriaan IJzerman) and Molecular Pharmacology (lead by Prof. Dr. Laura Heitman).

More information about Martin Sicho

Publications

(1) Šícho, M.; Liu, X.; Svozil, D.; van Westen, G. J. P. GenUI: Interactive and Extensible Open Source Software Platform for de Novo Molecular Generation and Cheminformatics. Journal of Cheminformatics 2021, 13 (1), 73. https://doi.org/10.1186/s13321-021-00550-y.

(2) Šícho, M.; Stork, C.; Mazzolari, A.; de Bruyn Kops, C.; Pedretti, A.; Testa, B.; Vistoli, G.; Svozil, D.; Kirchmair, J. FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes. J. Chem. Inf. Model. 2019, 59 (8), 3400–3412. https://doi.org/10.1021/acs.jcim.9b00376.

(3) Šícho, M.; de Bruyn Kops, C.; Stork, C.; Svozil, D.; Kirchmair, J. FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity. J. Chem. Inf. Model. 2017, 57 (8), 1832–1846. https://doi.org/10.1021/acs.jcim.7b00250.

Publications