Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

Sabrina Jaeger-Honz, Simone Fulle, Samo Turk

Journal of Chemical Information and Modeling

Structured PredictionEngineeringMachine LearningMachine Learning ToolVector Space +16

KinMap: a web-based tool for interactive navigation through human kinome data

Sameh Eid, Samo Turk, Andrea Volkamer, +2

BMC Bioinformatics

Discovery, Biological Evaluation, and Crystal Structure of a Novel Nanomolar Selective Butyrylcholinesterase Inhibitor

Boris Brus, Urban Košak, Samo Turk, +6

Journal of Medicinal Chemistry

Endocrine Disruptome—An Open Source Prediction Tool for Assessing Endocrine Disruption Potential through Nuclear Receptor Binding

Katra Kolšek, Janez Mavri, Marija Sollner Dolenc, +2

Journal of Chemical Information and Modeling

Drug TargetPharmacotherapyEndocrine Disruption PotentialSystem PharmacologyPre-clinical Pharmacology +16

Profiling Prediction of Kinase Inhibitors: Toward the Virtual Assay

Benjamin Merget, Samo Turk, Sameh Eid, +2

Journal of Medicinal Chemistry

Drug TargetEngineeringHit IdentificationKinase InhibitorsMolecular Biology +18

Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-dione Inhibitors of MurD Ligase

Nace Zidar, Tihomir Tomašič, Roman Šink, +12

Journal of Medicinal Chemistry

Antifungal activity of cinnamic acid derivatives involves inhibition of benzoate 4-hydroxylase (CYP53)

Branka Korošec, Matej Sova, Samo Turk, +10

Journal of Applied Microbiology

Novel Mechanism of Cathepsin B Inhibition by Antibiotic Nitroxoline and Related Compounds

Bojana Mirković, M. Renko, Samo Turk, +5

ChemMedChem

Antiparasitic AgentCathepsin B InhibitionPathologyPharmacotherapyAntimicrobial Chemotherapy +15

Design, Synthesis, and Evaluation of New Thiadiazole-Based Direct Inhibitors of Enoyl Acyl Carrier Protein Reductase (InhA) for the Treatment of Tuberculosis

Roman Šink, Izidor Sosič, Matej Živec, +13

Journal of Medicinal Chemistry

Combinatorial ChemistryCompetitive Inha InhibitorsBioorganic ChemistryPharmacotherapyChemical Biology +14

5‐Benzylidenethiazolidin‐4‐ones as Multitarget Inhibitors of Bacterial Mur Ligases

Tihomir Tomašič, Nace Zidar, Andreja Kovač, +11

ChemMedChem

Inhibitory ActivityAntimicrobial Drug DiscoveryAntibioticsMedicineDifferent Strains +12