Samo Lešnik

发表

BoBER: web interface to the base of bioisosterically exchangeable replacements

Dušanka Janežič, Janez Konc, Samo Lešnik, 2017, Journal of Cheminformatics.

Chemically inducible split protein regulators for mammalian cells

Tina Lebar, R. Jerala, U. Bren, 2022, Nature Chemical Biology.

Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.

Michael Schroeder, Feng Liu, Thierry Langer, 2016, Journal of medicinal chemistry.

Selective Toll-like receptor 7 agonists with novel chromeno[3,4-d]imidazol-4(1H)-one and 2-(trifluoromethyl)quinoline/ quinazoline-4-amine scaffolds.

Janez Konc, U. Švajger, M. Sova, 2019, European journal of medicinal chemistry.

The Effect of the Ala16Val Mutation on the Secondary Structure of the Manganese Superoxide Dismutase Mitochondrial Targeting Sequence

M. Jukič, U. Bren, Veronika Furlan, 2022, Antioxidants.

Rosemary (Rosmarinus officinalis L.): extraction techniques, analytical methods and health-promoting biological effects

U. Bren, Veronika Furlan, Samo Lešnik, 2021 .

Protein-water hydrogen-bond networks of G Protein-Coupled Receptors: graph-based analyses of static structures and molecular dynamics.

É. Bertalan, A. Bondar, U. Bren, 2020, Journal of structural biology.

Rosemary (Rosmarinus officinalis L.): extraction techniques, analytical methods and health-promoting biological effects

U. Bren, Veronika Furlan, Samo Lešnik, 2021, Phytochemistry Reviews.

Mechanistic Insights of Polyphenolic Compounds from Rosemary Bound to Their Protein Targets Obtained by Molecular Dynamics Simulations and Free-Energy Calculations

M. Jukič, U. Bren, Samo Lešnik, 2023, Foods.

Mechanistic Insights into Biological Activities of Polyphenolic Compounds from Rosemary Obtained by Inverse Molecular Docking

U. Bren, Samo Lešnik, 2021, Foods.

ProBiS-Dock: A Hybrid Multitemplate Homology Flexible Docking Algorithm Enabled by Protein Binding Site Comparison

Janez Konc, D. Janežič, Blaž Škrlj, 2022, J. Chem. Inf. Model..

LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors

Dusanka Janezic, Janez Konc, Damijan Knez, 2015, J. Chem. Inf. Model..

Nonpeptidic Selective Inhibitors of the Chymotrypsin-Like (β5 i) Subunit of the Immunoproteasome.

Janez Konc, D. Janežič, I. Mlinarič-Raščan, 2016, Angewandte Chemie.

Discovery of Novel Potential Human Targets of Resveratrol by Inverse Molecular Docking

Urban Bren, Janez Konc, Samo Lešnik, 2019, J. Chem. Inf. Model..

Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B

Janez Konc, J. Kos, I. Mangialavori, 2020, Journal of medicinal chemistry.

ProBiS-CHARMMing: Web Interface for Prediction and Optimization of Ligands in Protein Binding Sites

Dusanka Janezic, Bernard R. Brooks, Benjamin T. Miller, 2015, J. Chem. Inf. Model..

Loop Grafting between Similar Local Environments for Fc-Silent Antibodies

Milan Hodoscek, Janez Konc, Samo Lešnik, 2020, J. Chem. Inf. Model..

CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs

Milan Hodoscek, Urban Bren, Samo Lesnik, 2021, J. Chem. Inf. Model..

Opioid Receptors and Protonation-Coupled Binding of Opioid Drugs

É. Bertalan, A. Bondar, U. Bren, 2021, International journal of molecular sciences.

Modeling enzyme-ligand binding in drug discovery

Dusanka Janezic, Janez Konc, Samo Lesnik, 2015, Journal of Cheminformatics.

Discovery of new MurA inhibitors using induced-fit simulation and docking.

Dušanka Janežič, Janez Konc, Stanislav Gobec, 2017, Bioorganic & medicinal chemistry letters.

Fentanyl and the Fluorinated Fentanyl Derivative NFEPP Elicit Distinct Hydrogen-Bond Dynamics of the Opioid Receptor

A. Bondar, U. Bren, T. Domratcheva, 2023, J. Chem. Inf. Model..

Molecular dynamics to enhance structure-based virtual screening on cathepsin B

Dusanka Janezic, Milan Hodoscek, Samo Turk, 2015, Journal of Computer-Aided Molecular Design.

Nonpeptidic Selective Inhibitors of the Chymotrypsin-Like (β5 i) Subunit of the Immunoproteasome.

Janez Konc, D. Janežič, I. Mlinarič-Raščan, 2016, Angewandte Chemie.

Ligand-based virtual screening interface between PyMOL and LiSiCA

Dusanka Janezic, Janez Konc, Athira Dilip, 2016, Journal of Cheminformatics.