Samo Lešnik
Samo Lešnik
University of Maribor, Faculty of Chemistry and Chemical Engineering
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LiSiCA: a software for ligand-based virtual screening and its application for the discovery of butyrylcholinesterase inhibitors
S Lešnik, T Štular, B Brus, D Knez, S Gobec, D Janezic, J Konc
Journal of chemical information and modeling 55 (8), 1521-1528, 2015
ProBiS-CHARMMing: web interface for prediction and optimization of ligands in protein binding sites
J Konc, BT Miller, T Štular, S Lesnik, HL Woodcock, BR Brooks, ...
Journal of chemical information and modeling 55 (11), 2308-2314, 2015
Nonpeptidic selective inhibitors of the chymotrypsin‐like (β5 i) subunit of the immunoproteasome
I Sosič, M Gobec, B Brus, D Knez, M Živec, J Konc, S Lešnik, M Ogrizek, ...
Angewandte Chemie International Edition 55 (19), 5745-5748, 2016
Discovery of novel potential human targets of resveratrol by inverse molecular docking
K Kores, S Lesnik, U Bren, D Janezic, J Konc
Journal of Chemical Information and Modeling 59 (5), 2467-2478, 2019
Rosemary (Rosmarinus officinalis L.): extraction techniques, analytical methods and health-promoting biological effects
S Lešnik, V Furlan, U Bren
Phytochemistry Reviews 20 (6), 1273-1328, 2021
Stereoselective activity of 1-propargyl-4-styrylpiperidine-like analogues that can discriminate between monoamine oxidase isoforms A and B
D Knez, N Colettis, LG Iacovino, M Sova, A Pišlar, J Konc, S Lešnik, ...
Journal of medicinal chemistry 63 (3), 1361-1387, 2020
Protein-water hydrogen-bond networks of G protein-coupled receptors: Graph-based analyses of static structures and molecular dynamics
Bertalan, S Lešnik, U Bren, AN Bondar
Journal of Structural Biology 212 (3), 107634, 2020
Modeling enzyme-ligand binding in drug discovery
J Konc, S Lešnik, D Janežič
Journal of Cheminformatics 7, 1-8, 2015
Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction
T Štular, S Lešnik, K Rožman, J Schink, M Zdouc, A Ghysels, F Liu, ...
Journal of medicinal chemistry 59 (24), 11069-11078, 2016
Discovery of new MurA inhibitors using induced-fit simulation and docking
K Rožman, S Lešnik, B Brus, M Hrast, M Sova, D Patin, H Barreteau, ...
Bioorganic & Medicinal Chemistry Letters 27 (4), 944-949, 2017
Molecular dynamics to enhance structure-based virtual screening on cathepsin B
M Ogrizek, S Turk, S Lešnik, I Sosič, M Hodošček, B Mirković, J Kos, ...
Journal of computer-aided molecular design 29, 707-712, 2015
Mechanistic Insights into Biological Activities of Polyphenolic Compounds from Rosemary Obtained by Inverse Molecular Docking
S Lešnik, U Bren
Foods 11 (1), 67, 2021
Selective Toll-like receptor 7 agonists with novel chromeno [3, 4-d] imidazol-4 (1H)-one and 2-(trifluoromethyl) quinoline/quinazoline-4-amine scaffolds
A Dolšak, U Švajger, S Lešnik, J Konc, S Gobec, M Sova
European Journal of Medicinal Chemistry 179, 109-122, 2019
ProBiS-Dock Database: a web server and interactive web repository of small ligand–protein binding sites for drug design
J Konc, S Lesnik, B Skrlj, D Janezic
Journal of Chemical Information and Modeling 61 (8), 4097-4107, 2021
Potential energy function for fentanyl-based opioid pain killers
S Lesnik, M Hodoscek, U Bren, C Stein, AN Bondar
Journal of Chemical Information and Modeling 60 (7), 3566-3576, 2020
BoBER: web interface to the base of bioisosterically exchangeable replacements
S Lešnik, B Škrlj, N Eržen, U Bren, S Gobec, J Konc, D Janežič
Journal of Cheminformatics 9 (1), 1-8, 2017
Ligand-based virtual screening interface between PyMOL and LiSiCA
A Dilip, S Lešnik, T Štular, D Janežič, J Konc
Journal of Cheminformatics 8, 1-5, 2016
Opioid receptors and protonation-coupled binding of opioid drugs
S Lešnik, Bertalan, U Bren, AN Bondar
International journal of molecular sciences 22 (24), 13353, 2021
CHARMM force-field parameters for morphine, heroin, and oliceridine, and conformational dynamics of opioid drugs
T Giannos, S Lesnik, U Bren, M Hodoscek, T Domratcheva, AN Bondar
Journal of Chemical Information and Modeling 61 (8), 3964-3977, 2021
Chemically inducible split protein regulators for mammalian cells
E Rihtar, T Lebar, D Lainšček, K Kores, S Lešnik, U Bren, R Jerala
Nature Chemical Biology 19 (1), 64-71, 2023
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