2026

2 publications

1

Janez Konc, Karmen Recer, Tanja Kunej, Dušanka Janežič

Conserved water molecules shape the pathogenicity of missense variants in human proteins.

Mol. Biol. Evol., 2026, msag217. Open Access

2

Dušanka Janežič, Janez Konc

In Silico Laboratory: New and Updated Tools for Protein-Centered Drug Discovery.

In: Labrou N. (eds) Targeting Enzymes for Pharmaceutical Development. Methods Mol. Biol., 2026, 3021, pp 299-319. Full Text | PDF

2025

3 publications

3

Jernej Hirci, Sandra Škufca, Tanja Kunej, Dušanka Janežič, Janez Konc

Identification of potential human targets for epigallocatechin gallate through a novel protein binding site screening approach.

J. Mol. Model., 2025, 31, 189. Open Access

4

Samo Lešnik, Janez Konc, Tina Vodopivec, Katja Čamernik, Urška Karolina Potokar, Matic Legiša

Small-molecule inhibitors of 6-phosphofructo-1-kinase simultaneously suppress lactate and superoxide generation in cancer cells.

PLoS One, 2025, 20(5): e0321998. Open Access

5

Janez Konc, Dušanka Janežič

Advanced clique algorithms for protein product graphs.

ADAM, 2025, 8, 1-8. Open Access

2024

3 publications

6

Kati Rozman, An Ghysels, Dušanka Janežič, Janez Konc

An exact algorithm to find a maximum weight clique in a weighted undirected graph.

Sci. Rep., 2024, 14, 9118. Open Access

7

Martin Šimon, Špela Mikec, Santosh S. Atanur, Janez Konc, Nicholas M. Morton, Simon Horvat, Tanja Kunej

Whole genome sequencing of mouse lines divergently selected for fatness (FLI) and leanness (FHI) revealed several genetic variants as candidates for novel obesity genes.

Genes Genom., 2024, doi: 10.1007/s13258-024-01507-9. Open Access

8

Kati Rozman, An Ghysels, Bogdan Zavalnij, Tanja Kunej, Urban Bren, Dušanka Janežič, Janez Konc

Enhanced Molecular Docking: Novel Algorithm for Identifying Highest Weight k-Cliques in Weighted General and Protein-Ligand Graphs.

J. Mol. Struct., 2024, 1304, 137639. Open Access

2023

2 publications

9

David R. Lisgarten, Rex A. Palmer, Jon B. Cooper, Claire E. Naylor, Rosemary C. Talbert, Brendan J. Howlin, John N. Lisgarten, Janez Konc, Shabir Najmudin, Carina M. C. Lobley

Ultra-High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease A at 100K.

BMC Chem., 2023, 17, 91. Open Access

10

Martin Šimon, Špela Mikec, Nicholas M. Morton, Santosh S. Atanur, Janez Konc, Simon Horvat, Tanja Kunej

Genome-wide screening for genetic variants in polyadenylation signal (PAS) sites in mouse selection lines for fatness and leanness.

Mamm. Genome, 2023, 34, 12-31. Full Text

2022

8 publications

11

Janez Konc, Dušanka Janežič

Protein Binding Sites for Drug Design.

Biophys. Rev., 2022, 14, 1413–1421. Open Access

12

Anja Pavlin, Anže Lovše, Gregor Bajc, Jan Otoničar, Amela Kujović, Živa Lengar, Ion Gutierrez Aguirre, Rok Kostanjšek, Janez Konc, Nadine Fornelos, Matej Butala

A small bacteriophage protein determines the hierarchy over co-residential jumbo phage in Bacillus thuringiensis serovar israelensis.

Commun. Biol., 2022, 5, 1286. Open Access

13

Janez Konc, Dušanka Janežič

ProBiS-Fold Approach for Annotation of Human Structures from the AlphaFold Database with no Corresponding Structure in the PDB to Discover New Druggable Binding Sites.

J. Chem. Inf. Model., 2022, 62, 5821-5829. Full Text

14

Janez Konc, Samo Lešnik, Blaž Škrlj, Matej Sova, Matic Proj, Damijan Knez, Stanislav Gobec, Dušanka Janežič

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

J. Chem. Inf. Model., 2022, 62, 1573-1584. Full Text

15

Špela Mikec, Martin Šimon, Nicholas M. Morton, Santosh S. Atanur, Janez Konc, Peter Dovč, Simon Horvat, Tanja Kunej

Genetic variants of the hypoxia-inducible factor 3 alpha subunit (Hif3a) gene in the Fat and Lean mouse selection lines.

Mol. Biol. Rep., 2022 doi: 10.1007/s11033-022-07309-0

16

Matic Proj, Steven De Jonghe, Tom Van Loy, Marko Jukič, Anže Meden, Luka Ciber, Črtomir Podlipnik, Uroš Grošelj, Janez Konc, Dominique Schols, Stanislav Gobec

A Set of Experimentally Validated Decoys for the Human CC Chemokine Receptor 7 (CCR7) Obtained by Virtual Screening.

Front. Pharmacol., 2022, 13: 855653 Open Access

17

Kristjan Reba, Matej Guid, Kati Rozman, Dušanka Janežič, Janez Konc

Exact Maximum Clique Algorithm for Different Graph Types Using Machine Learning.

Mathematics, 2022, 10, 97. Open Access

18

Blaž Škrlj, Jan Kralj, Janez Konc, Marko Robnik Šikonja, Nada Lavrač

Deep Node Ranking for Neuro-symbolic Structural Node Embedding and Classification.

Int. J. Intell. Syst., 2022, 37, 914-943. Full Text

2021

4 publications

19

Janez Konc, Samo Lešnik, Blaž Škrlj, Dušanka Janežič

ProBiS-Dock Database: A Web Server and Interactive Web Repository of Small Ligand Protein Binding Sites for Drug Design.

J. Chem. Inf. Model., 2021, 61, 4097-4107. Full Text

20

Sebastjan Kralj, Milan Hodošček, Barbara Podobnik, Tanja Kunej, Urban Bren, Dušanka Janežič, Janez Konc

Molecular Dynamics Simulations Reveal Interactions of an IgG1 antibody with selected Fc Receptors.

Front. Chem, 2021, 9, 533. Open Access

21

Katarina Kores, Janez Konc, Urban Bren

Mechanistic Insights into Side Effects of Troglitazone and Rosiglitazone Using a Novel Inverse Molecular Docking Protocol.

Pharmaceutics, 2021, 13, 315. Open Access

22

Blaž Škrlj, Nika Eržen, Nada Lavrač, Tanja Kunej, Janez Konc

CaNDis: A web server for investigation of causal relationships between diseases, drugs, and drug targets.

Bioinformatics, 2021, 37, 885-887. Open Access

2020

5 publications

23

Samo Lešnik, Milan Hodošček, Barbara Podobnik, Janez Konc

Loop Grafting between Similar Local Environments for Fc-Silent Antibodies.

J. Chem. Inf. Model., 2020, 60, 5475–5486. Full Text

24

Marko Jukic, Janez Konc, Urban Bren, Dusanka Janezic

ProBiS H2O MD Approach for Identification of Conserved Water Sites in Protein Structures for Drug Design.

ACS Med. Chem. Lett., 2020, 11, 877-882. Full Text

25

Jonathan A. Fine, Janez Konc, Ram Samudrala, Gaurav Chopra

CANDOCK: Chemical Atomic Network-based Hierarchical Flexible Docking Algorithm using Generalized Statistical Potentials.

J. Chem. Inf. Model., 2020, 60, 1509-1527. Full Text

26

Damijan Knez, Natalia Colettis, Luca Giacinto Iacovino, Matej Sova, Anja Pišlar, Janez Konc, Samo Lešnik, Josefina Higgs, Fabiola Kamecki, Irene Mangialavori, Ana Dolšak, Simon Žakelj, Jurij Trontelj, Janko Kos, Claudia Binda, Mariel Marder, Stanislav Gobec

Stereoselective Activity of 1-Propargyl-4-Styrylpiperidine-Like Analogues that can Discriminate between Monoamine Oxidase Isoforms A and B.

J. Med. Chem., 2020, 63, 1361-1387. Full Text

27

Samo Lešnik, Janez Konc

In Silico Laboratory: Tools for Similarity-Based Drug Discovery.

In: Labrou N. (eds) Targeting Enzymes for Pharmaceutical Development. Methods Mol. Biol., 2020, 2089, pp 1-28. Full Text

2019

5 publications

28

Anamarija Habic, John S. Mattick, George Adrian Calin, Rok Krese, Janez Konc, and Tanja Kunej

Genetic Variations of Ultraconserved Elements in the Human Genome.

OMICS J. Integr. Biol., 2019, 23, 549-559. Open Access

29

Janez Konc

Identification of neurological disease targets of natural products by computational screening.

Neural Regen. Res., 2019, 14:2075-2076. PDF

30

Ana Dolšak, Urban Švajger, Samo Lešnik, Janez Konc, Stanislav Gobec, Matej Sova

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

Eur. J. Med. Chem., 2019, 179, 109-122. Full Text

31

Katarina Kores, Samo Lešnik, Urban Bren, Dušanka Janežič, Janez Konc

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

J. Chem. Inf. Model., 2019, 59, 2467-2478. Full Text

32

Janez Konc

Binding site comparisons for target-centered drug discovery.

Expert Opin. Drug Discov., 2019, 14, 445-454. Full Text. PDF

2018

2 publications

33

Veronika Furlan, Janez Konc, Urban Bren

Inverse Molecular Docking as a Novel Approach to Study Anticarcinogenic and Anti-Neuroinflammatory Effects of Curcumin.

Molecules, 2018, 23, 3351. Open Access

34

Blaž Škrlj, Tanja Kunej, Janez Konc

Insights from ion binding site network analysis into evolution and functions of proteins.

Mol. Inform., 2018, 37, 1700144. Full Text

2017

7 publications

35

Samo Lešnik, Blaž Škrlj, Nika Eržen, Urban Bren, Stanislav Gobec, Janez Konc, Dušanka Janežič

BoBER: web interface to the base of bioisosterically exchangeable replacements.

J. Cheminform., 2017, 9:62. Open Access

36

Marko Jukič, Janez Konc, Stanislav Gobec, Dušanka Janežič

Identification of Conserved Water Sites in Protein Structures for Drug Design.

J. Chem. Inf. Model., 2017, 57, 3094-3103. Full Text

37

Juyong Lee, Janez Konc, Dušanka Janežič, Bernard R. Brooks

Global organization of a binding site network gives insight into evolution and structure-function relationships of proteins.

Sci. Rep., 2017, 7:11652. Open Access

38

Janez Konc, Blaž Škrlj, Nika Eržen, Tanja Kunej, Dušanka Janežič

GenProBiS: web server for mapping of sequence variants to protein binding sites.

Nucleic Acids Res., 2017, 45, W253-W259. Open Access

39

Blaž Škrlj, Janez Konc, Tanja Kunej

Identification of Sequence Variants within Experimentally Validated Protein Interaction Sites Provides New Insights into Molecular Mechanisms of Disease Development.

Mol. Inform., 2017, 36, 1700017. Full Text

40

Janez Konc, Dušanka Janežič

ProBiS tools (algorithm, database, and web servers) for predicting and modeling of biologically interesting proteins.

Prog. Biophys. Mol. Biol., 2017, 128, 24-32. Full Text

41

Kaja Rozman, Samo Lešnik, Boris Brus, Martina Hrast, Matej Sova, Delphine Patin, Helene Barreteau, Janez Konc, Dušanka Janežič, Stanislav Gobec

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

Bioorg. Med. Chem. Lett., 2017, 27, 944-949. Full Text

2016

6 publications

42

Tanja Štular, Samo Lešnik, Kaja Rozman, Julia Schink, Mitja Zdouc, An Ghysels, Feng Liu, Courtney C. Aldrich, V. Joachim Haupt, Sebastian Salentin, Simone Daminelli, Michael Schroeder, Thierry Langer, Stanislav Gobec, Dušanka Janežič, and Janez Konc

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

J. Med. Chem, 2016, 59, 11069-11078. Full Text

43

Samo Lešnik, Janez Konc, Dušanka Janežič

Scaffold Hopping and Bioisosteric Replacements Based on Binding Site Alignments.

Croat. Chem. Acta, 2016, 89, DOI: 10.5562/cca2993. Open Access

44

Athira Dilip, Samo Lešnik, Tanja Štular, Dušanka Janežič, Janez Konc

Ligand-based virtual screening interface between PyMOL and LiSiCA.

J. Cheminform., 2016, 8:46. Open Access

45

Izidor Sosič, Martina Gobec, Boris Brus, Damijan Knez, Matej Živec, Janez Konc, Samo Lešnik, Mitja Ogrizek, Aleš Obreza, Dušan Žigon, Dušanka Janežič, Irena Mlinarič-Raščan, Stanislav Gobec

Nonpeptidic Selective Inhibitors of the Chymotrypsin-Like (beta5i) Subunit of the Immunoproteasome.

Angew. Chem. Int. Ed., 2016, 55, 5745-5748. Full Text

46

Mitja Ogrizek, Janez Konc, Urban Bren, Milan Hodošček, Dušanka Janežič

Role of magnesium ions in the reaction mechanism at the interface between Tm1631 protein and its DNA ligand.

Chem. Cent. J., 2016, 10:41. Open Access

47

V. Joachim Haupt, Jesus E. Aguilar Uvalle, Sebastian Salentin, Simone Daminelli, Franziska Leonhardt, Janez Konc, Michael Schroeder

Computational Drug Repositioning by Target Hopping: A Use Case in Chagas Disease.

Curr. Pharm. Des., 2016, 22, 3124-3134. Full Text

2015

4 publications

48

Janez Konc, Benjamin T. Miller, Tanja Štular, Samo Lešnik, Lee H. Woodcock, Bernard R. Brooks, Dušanka Janežič

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

J. Chem. Inf. Model., 2015, 55, 2308-2314. Full Text

49

Janez Konc, Samo Lešnik, Dušanka Janežič

Modeling enzyme-ligand binding in drug discovery.

J. Cheminform., 2015, 7:48. Open Access

50

Samo Lešnik, Tanja Štular, Boris Brus, Damijan Knez, Stanislav Gobec, Dušanka Janežič, Janez Konc

LiSiCa: A Software for Ligand-based Virtual Screening and its Application for the Discovery of Butyrylcholinesterase Inhibitors.

J. Chem. Inf. Model., 2015, 55, 1521-1528. Full Text

51

Mitja Ogrizek, Samo Turk, Samo Lešnik, Izidor Sosič, Milan Hodošček, Bojana Mirković, Janko Kos, Dušanka Janežič, Stanislav Gobec, Janez Konc

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

J. Comp. Aided Mol. Design, 2015, 29, 707-712. Full Text

2014

2 publications

52

Janez Konc, Dušanka Janežič

ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites.

Nucleic Acids Res., 2014, 42, W215-W220. Open Access

53

Janez Konc, Dušanka Janežič

Binding site comparison in protein function prediction and pharmaceutical discovery.

Curr. Opin. Struct. Biol., 2014, 25, 34-39. Full Text

2013

3 publications

54

Janez Konc, Milan Hodošček, Mitja Ogrizek, Joanna Trykowska Konc, Dušanka Janežič

Structure-based function prediction of uncharacterized protein using binding sites comparison.

PloS Comput. Biol., 2013, 9, e1003341. Open Access

55

Muhammad Yusuf, Janez Konc, Choi Sy Bing, Joanna Trykowska Konc, Nurul Bahiyah Ahmad Khairudin, Dušanka Janežič, Habibah A Wahab

Structurally conserved binding sites of hemagglutinin as targets for influenza drug and vaccine development

J. Chem. Inf. Model., 2013, 53, 2423–2436. Full Text

56

Matjaz Depolli, Janez Konc, Kati Rozman, Roman Trobec, Dušanka Janežič

Exact parallel maximum clique algorithm for general and protein graphs

J. Chem. Inf. Model., 2013, 53, 2217-2228. Full Text

2012

6 publications

57

Nejc Carl, Milan Hodošček, Blaž Vehar, Janez Konc, Bernard R. Brooks, Dušanka Janežič

Correlating protein hot spot surface analysis using ProBiS with simulated free energies of protein-protein interfacial residues

J. Chem. Inf. Model., 2012, 52, 2541–2549. Full Text

58

Petra Brozic, Samo Turk, Adegoke O. Adeniji, Janez Konc, Dušanka Janežič, Trevor M. Penning, Teja Lanišnik Rižner, Stanislav Gobec

Selective Inhibitors of Aldo-Keto Reductases Akr1C1 and Akr1C3 Discovered by Virtual Screening of a Fragment Library.

J. Med. Chem., 2012, 55, 7417-7424. Full Text

59

Martina Hrast, Blaž Vehar, Samo Turk, Janez Konc, Stanislav Gobec, Dušanka Janežič

Function of the D-alanine:D-alanine ligase lid loop: a Molecular Modeling and Bioactivity Study.

J. Med. Chem., 2012, 55, 6849–6856. Full Text

60

Janez Konc, Matjaž Depolli, Roman Trobec, Kati Rozman, Dušanka Janežič

Parallel-ProBiS: Fast Parallel Algorithm for Local Structural Comparison of Protein Structures and Binding Sites.

J. Comp. Chem., 2012, 33, 2199-2203. Open Access

61

Janez Konc, Dušanka Janežič

ProBiS - 2012: Web server and web services for detection of structurally similar binding sites in proteins.

Nucleic Acids Res., 2012, 40, W214-W221. Open Access

62

Janez Konc, Tomo Česnik, Joanna Trykowska Konc, Matej Penca, Dušanka Janežič

ProBiS-Database: Precalculated Binding Site Similarities and Local Pairwise Alignments of Pdb Structures

J. Chem. Inf. Model., 2012, 52, 604-612. Open Access

2011

3 publications

63

Blaž Vehar, Martina Hrast, Andreja Kovač, Janez Konc, Katherine Mariner, Ian Chopra, Alex O'Neill, Dušanka Janežič, Stanislav Gobec

Ellipticines and 9-acridinylamines as inhibitors of d-alanine:d-alanine ligase.

Bioorg. Med. Chem., 2011, 19, 5137-5146. Full Text

64

Staš Bevc, Janez Konc, Jure Stojan, Milan Hodošček, Matej Penca, Matej Praprotnik, Dušanka Janežič

ENZO: a web tool for derivation and evaluation of kinetic models of enzyme catalyzed reactions.

PloS One, 2011, 6(7): e22265. Open Access

65

Janez Konc, Joanna Trykowska Konc, Matej Penca, Dušanka Janežič

Binding-sites prediction assisting protein-protein docking.

Acta Chim. Slov., 2011, 58, 396-401. PDF

2010

3 publications

66

Janez Konc, Dušanka Janežič

ProBiS: A web server for detection of structurally similar protein binding sites.

Nucleic Acids Res., 2010, 38, W436-W440. Open Access

67

Nejc Carl, Janez Konc, Blaž Vehar, Dušanka Janežič

Protein-protein binding site prediction by local structural alignment.

J. Chem. Inf. Model., 2010, 50, 1906-1913. Full Text

68

Janez Konc, Dušanka Janežič

ProBiS algorithm for detection of structurally similar protein binding sites by local structural alignment.

Bioinformatics, 2010, 26, 1160-1168. Open Access

2008

2 publications

69

Andreja Kovač, Janez Konc, Blaž Vehar, Julieanne Bostock, Ian Chopra, Dušanka Janežič, Stanislav Gobec

Discovery of new inhibitors of D-alanine:D-alanine ligase by structure-based virtual screening.

J. Med. Chem., 2008, 51, 7442-7448. Full Text

70

Nejc Carl, Janez Konc, Dušanka Janežič

Protein surface conservation in binding sites.

J. Chem. Inf. Model., 2008, 48, 1279-1286. Full Text

2007

3 publications

71

Janez Konc, Dušanka Janežič

Protein-protein binding-sites prediction by protein surface structure conservation.

J. Chem. Inf. Model., 2007, 47, 940-944.Full Text

72

Janez Konc, Dušanka Janežič

A branch and bound algorithm for matching protein structures.

Lect. Notes Comput. Sci., 2007, 4432, 399-406.Full Text

73

Janez Konc, Dušanka Janežič

An improved branch and bound algorithm for the maximum clique problem.

Match Commun. Math. Comput. Chem., 2007, 58, 569-590.PDF

2006

2 publications

74

Janez Mravljak, Janez Konc, Milan Hodošček, Tomaž Šolmajer, Slavko Pečar

Spin-labeled alkylphospholipids in a dipalmitoylphosphatidylcholine bilayer : molecular dynamics simulations.

J. Phys. Chem. B, 2006, 110, 25559-25561.Full Text

75

Janez Konc, Milan Hodošček, Dušanka Janežič

Molecular surface walk.

Croat. Chem. Acta, 2006, 79, 237-241.PDF

2005

1 publication

76

Katja Kristan, Katja Krajnc, Janez Konc, Stanislav Gobec, Jure Stojan, Tea Lanišnik Rižner

Phytoestrogens as inibitors of fungal 17ß-hydroxysteroid dehydrogenase.

Steroids, 2005, 70, 626-635.Full Text