Novel Inhibitors of Trihydroxynaphthalene Reductase with Antifungal Activity Identified by Ligand-Based and Structure-Based Virtual Screening. - Mojca Brunskole Svegelj; Samo Turk; Boris Brus; Tea Lanisnik Rizner; Jure Stojan; Stanislav Gobec (J. Chem. Inf. Model., 2011)

Virtual Screening Yields Inhibitors of Novel Antifungal Drug Target, Benzoate 4-Monooxygenase. - Sabina Berne; Barbara Podobnik; Neja Zupanec; Metka Novak; Nada Krasevec; Samo Turk; Branka Korosec; Ljerka Lah; Erika Suligoj; Jure Stojan; Stanislav Gobec; Radovan Komel (J. Chem. Inf. Model., 2012)

Endocrine Disruptome - An Open Source Prediction Tool for Assessing Endocrine Disruption Potential through Nuclear Receptor Binding. - Katra Kolsek; Janez Mavri; Marija Sollner Dolenc; Stanislav Gobec; Samo Turk (J. Chem. Inf. Model., 2014)

Molecular dynamics to enhance structure-based virtual screening on cathepsin B. - Mitja Ogrizek; Samo Turk; Samo Lesnik; Izidor Sosic; Milan Hodoscek; Bojana Mirkovic; Janko Kos; Dusanka Janezic; Stanislav Gobec; Janez Konc (J. Comput. Aided Mol. Des., 2015)

Pocketome of Human Kinases: Prioritizing the ATP Binding Sites of (Yet) Untapped Protein Kinases for Drug Discovery. - Andrea Volkamer; Sameh Eid; Samo Turk; Sabrina Jaeger; Friedrich Rippmann; Simone Fulle (J. Chem. Inf. Model., 2015)

Identification and Visualization of Kinase-Specific Subpockets. - Andrea Volkamer; Sameh Eid; Samo Turk; Friedrich Rippmann; Simone Fulle (J. Chem. Inf. Model., 2016)

KinMap: a web-based tool for interactive navigation through human kinome data. - Sameh Eid; Samo Turk; Andrea Volkamer; Friedrich Rippmann; Simone Fulle (BMC Bioinform., 2017)

Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization. - Samo Turk; Benjamin Merget; Friedrich Rippmann; Simone Fulle (J. Chem. Inf. Model., 2017)

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition. - Sabrina Jaeger; Simone Fulle; Samo Turk (J. Chem. Inf. Model., 2018)