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)

Inhibitor Design Strategy Based on an Enzyme Structural Flexibility: A Case of Bacterial MurD Ligase. - Andrej Perdih; Martina Hrast; Hélène Barreteau; Stanislav Gobec; Gerhard Wolber; Tomaz Solmajer (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)

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization. - Andrej Perdih; Martina Hrast; Kaja Pureber; Hélène Barreteau; Simona Golic Grdadolnik; Darko Kocjan; Stanislav Gobec; Tomaz Solmajer; Gerhard Wolber (J. Comput. Aided Mol. Des., 2015)

LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors. - Samo Lesnik; Tanja Stular; Boris Brus; Damijan Knez; Stanislav Gobec; Dusanka Janezic; Janez Konc (J. Chem. Inf. Model., 2015)

BoBER: web interface to the base of bioisosterically exchangeable replacements. - Samo Lesnik; Blaz Skrlj; Nika Erzen; Urban Bren; Stanislav Gobec; Janez Konc; Dusanka Janezic (J. Cheminformatics, 2017)

Identification of Conserved Water Sites in Protein Structures for Drug Design. - Marko Jukic; Janez Konc; Stanislav Gobec; Dusanka Janezic (J. Chem. Inf. Model., 2017)

WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors. - Andrea Scarpino; László Petri; Damijan Knez; Tímea Imre; Péter Ábrányi-Balogh; György G. Ferenczy; Stanislav Gobec; György M. Keserü (J. Comput. Aided Mol. Des., 2021)

ProBiS-Dock: A Hybrid Multitemplate Homology Flexible Docking Algorithm Enabled by Protein Binding Site Comparison. - Janez Konc; Samo Lesnik; Blaz Skrlj; Matej Sova; Matic Proj; Damijan Knez; Stanislav Gobec; Dusanka Janezic (J. Chem. Inf. Model., 2022)

Mur ligase F as a new target for the flavonoids quercitrin, myricetin, and (-)-epicatechin. - Martina Hrast Rambaher; Irena Zdovc; Nina Kocevar Glavac; Stanislav Gobec; Rok Frlan (J. Comput. Aided Mol. Des., 2023)