Dusanka Janezic

Publication Activity (10 Years)

Years Active: 1990-2022
Publications (10 Years): 13

Top Topics

Protein Structure

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Nucleic Acids Res.

J. Comput. Aided Mol. Des.

Publications

Janez Konc, Samo Lesnik, Blaz Skrlj, Matej Sova, Matic Proj, Damijan Knez, Stanislav Gobec, Dusanka Janezic
ProBiS-Dock: A Hybrid Multitemplate Homology Flexible Docking Algorithm Enabled by Protein Binding Site Comparison. J. Chem. Inf. Model. 62 (6) (2022)
Janez Konc, Dusanka Janezic
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. 62 (22) (2022)
Janez Konc, Samo Lesnik, Blaz Skrlj, Dusanka Janezic
ProBiS-Dock Database: A Web Server and Interactive Web Repository of Small Ligand-Protein Binding Sites for Drug Design. J. Chem. Inf. Model. 61 (8) (2021)
Katarina Kores, Samo Lesnik, Urban Bren, Dusanka Janezic, Janez Konc
Discovery of Novel Potential Human Targets of Resveratrol by Inverse Molecular Docking. J. Chem. Inf. Model. 59 (5) (2019)
Samo Lesnik, Blaz Skrlj, Nika Erzen, Urban Bren, Stanislav Gobec, Janez Konc, Dusanka Janezic
BoBER: web interface to the base of bioisosterically exchangeable replacements. J. Cheminformatics 9 (1) (2017)
Janez Konc, Blaz Skrlj, Nika Erzen, Tanja Kunej, Dusanka Janezic
GenProBiS: web server for mapping of sequence variants to protein binding sites. Nucleic Acids Res. 45 (Webserver-Issue) (2017)
Marko Jukic, Janez Konc, Stanislav Gobec, Dusanka Janezic
Identification of Conserved Water Sites in Protein Structures for Drug Design. J. Chem. Inf. Model. 57 (12) (2017)
Athira Dilip, Samo Lesnik, Tanja Stular, Dusanka Janezic, Janez Konc
Ligand-based virtual screening interface between PyMOL and LiSiCA. J. Cheminformatics 8 (1) (2016)
Muhammad Yusuf, Nornisah Mohamed, Suriyati Mohamad, Dusanka Janezic, K. V. Damodaran, Habibah A. Wahab
H274Y's Effect on Oseltamivir Resistance: What Happens Before the Drug Enters the Binding Site. J. Chem. Inf. Model. 56 (1) (2016)
Samo Lesnik, Tanja Stular, Boris Brus, Damijan Knez, Stanislav Gobec, Dusanka Janezic, Janez Konc
LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors. J. Chem. Inf. Model. 55 (8) (2015)
Janez Konc, Samo Lesnik, Dusanka Janezic
Modeling enzyme-ligand binding in drug discovery. J. Cheminformatics 7 (2015)
Janez Konc, Benjamin T. Miller, Tanja Stular, Samo Lesnik, H. Lee Woodcock III, Bernard R. Brooks, Dusanka Janezic
ProBiS-CHARMMing: Web Interface for Prediction and Optimization of Ligands in Protein Binding Sites. J. Chem. Inf. Model. 55 (11) (2015)
Mitja Ogrizek, Samo Turk, Samo Lesnik, Izidor Sosic, Milan Hodoscek, Bojana Mirkovic, Janko Kos, Dusanka Janezic, Stanislav Gobec, Janez Konc
Molecular dynamics to enhance structure-based virtual screening on cathepsin B. J. Comput. Aided Mol. Des. 29 (8) (2015)
Janez Konc, Dusanka Janezic
ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites. Nucleic Acids Res. 42 (Webserver-Issue) (2014)
Janez Konc, Milan Hodoscek, Mitja Ogrizek, Joanna Trykowska Konc, Dusanka Janezic
Structure-Based Function Prediction of Uncharacterized Protein Using Binding Sites Comparison. PLoS Comput. Biol. 9 (11) (2013)
Matjaz Depolli, Janez Konc, Kati Rozman, Roman Trobec, Dusanka Janezic
Exact Parallel Maximum Clique Algorithm for General and Protein Graphs. J. Chem. Inf. Model. 53 (9) (2013)
Muhammad Yusuf, Janez Konc, Sy Bing Choi, Joanna Trykowska Konc, Nurul Bahiyah Ahmad Khairudin, Dusanka Janezic, Habibah A. Wahab
Structurally Conserved Binding Sites of Hemagglutinin as Targets for Influenza Drug and Vaccine Development. J. Chem. Inf. Model. 53 (9) (2013)
Janez Konc, Matjaz Depolli, Roman Trobec, Kati Rozman, Dusanka Janezic
Parallel-ProBiS: Fast parallel algorithm for local structural comparison of protein structures and binding sites. J. Comput. Chem. 33 (27) (2012)
Nejc Carl, Milan Hodoscek, Blaz Vehar, Janez Konc, Bernard R. Brooks, Dusanka Janezic
Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues. J. Chem. Inf. Model. 52 (10) (2012)
Janez Konc, Dusanka Janezic
ProBiS-2012: web server and web services for detection of structurally similar binding sites in proteins. Nucleic Acids Res. 40 (Web-Server-Issue) (2012)
Janez Konc, Tomo Cesnik, Joanna Trykowska Konc, Matej Penca, Dusanka Janezic
ProBiS-Database: Precalculated Binding Site Similarities and Local Pairwise Alignments of PDB Structures. J. Chem. Inf. Model. 52 (2) (2012)
Urban Borstnik, Benjamin T. Miller, Bernard R. Brooks, Dusanka Janezic
The distributed diagonal force decomposition method for parallelizing molecular dynamics simulations. J. Comput. Chem. 32 (14) (2011)
Janez Konc, Dusanka Janezic
ProBiS: a web server for detection of structurally similar protein binding sites. Nucleic Acids Res. 38 (Web-Server-Issue) (2010)
Janez Konc, Dusanka Janezic
ProBiS algorithm for detection of structurally similar protein binding sites by local structural alignment. Bioinform. 26 (9) (2010)
Nejc Carl, Janez Konc, Blaz Vehar, Dusanka Janezic
Protein-Protein Binding Site Prediction by Local Structural Alignment. J. Chem. Inf. Model. 50 (10) (2010)
Nejc Carl, Janez Konc, Dusanka Janezic
Protein Surface Conservation in Binding Sites. J. Chem. Inf. Model. 48 (6) (2008)
Matej Praprotnik, Stanko Hocevar, Milan Hodoscek, Matej Penca, Dusanka Janezic
-34 molecular sieve. J. Comput. Chem. 29 (1) (2008)
Janez Konc, Dusanka Janezic
Protein-Protein Binding-Sites Prediction by Protein Surface Structure Conservation. J. Chem. Inf. Model. 47 (3) (2007)
Janez Konc, Dusanka Janezic
A Branch and Bound Algorithm for Matching Protein Structures. ICANNGA (2) (2007)
Mircea V. Diudea, Aniela E. Vizitiu, Dusanka Janezic
Cluj and Related Polynomials Applied in Correlating Studies. J. Chem. Inf. Model. 47 (3) (2007)
Aniela E. Vizitiu, Mircea V. Diudea, Sonja Nikolic, Dusanka Janezic
Retro-Leapfrog and Related Retro Map Operations. J. Chem. Inf. Model. 46 (6) (2006)
Franci Merzel, Milan Hodoscek, Dusanka Janezic, Alain Sanson
New force field for calcium binding sites in annexin-membrane complexes. J. Comput. Chem. 27 (4) (2006)
Urban Borstnik, Dusanka Janezic
Symplectic Molecular Dynamics Simulations on Specially Designed Parallel Computers. J. Chem. Inf. Model. 45 (6) (2005)
Dusanka Janezic
The Regional Biophysics Meeting March 16-20, 2005, Zrece, Slovenia. J. Chem. Inf. Model. 45 (6) (2005)
Matej Praprotnik, Dusanka Janezic
Molecular Dynamics Integration Meets Standard Theory of Molecular Vibrations. J. Chem. Inf. Model. 45 (6) (2005)
Mircea V. Diudea, Csaba L. Nagy, Ioan Silaghi-Dumitrescu, Ante Graovac, Dusanka Janezic, Drazen Vikic-Topic
Periodic Cages. J. Chem. Inf. Model. 45 (2) (2005)
Urban Borstnik, Dusanka Janezic
Reviews in Computational Chemistry. Volume 19 Edited by Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari. Wiley-VCH 2003, ISBN 0-471-23585-7. J. Chem. Inf. Model. 44 (4) (2004)
Urban Borstnik, Milan Hodoscek, Dusanka Janezic
Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters. J. Chem. Inf. Model. 44 (2) (2004)
István Lukovits, Dusanka Janezic
Enumeration of Conjugated Circuits in Nanotubes. J. Chem. Inf. Model. 44 (2) (2004)
Dusanka Janezic, Ante Graovac
The Eighteenth International Course & Conference on the Interfaces among Mathematics, Chemistry & Computer Sciences June 23-28, 2003 Dubrovnik, Croatia. J. Chem. Inf. Model. 44 (2) (2004)
Dusanka Janezic, Matej Praprotnik
Molecular Dynamics Integration Time Step Dependence of the Split Integration Symplectic Method on System Density. J. Chem. Inf. Comput. Sci. 43 (6) (2003)
Roman Trobec, Franci Merzel, Dusanka Janezic
The Complexity of Parallel Symplectic Molecular Dynamics Algorithms. J. Chem. Inf. Comput. Sci. 37 (6) (1997)
Roman Trobec, Franci Merzel, Dusanka Janezic
Computational Complexity of Split Symplectic MD Integration Method. PARCO (1997)
Dusanka Janezic, Franci Merzel
Split Integration Symplectic Method for Molecular Dynamics Integration. J. Chem. Inf. Comput. Sci. 37 (6) (1997)
Dusanka Janezic, Martin Karplus
Harmonic Analysis of Large Systems. II. Comaprison of Different Protein Models. J. Comput. Chem. 16 (12) (1995)
Bernard R. Brooks, Dusanka Janezic, Martin Karplus
Harmonic Analysis of Large Systems. I. Methodology. J. Comput. Chem. 16 (12) (1995)
Dusanka Janezic, Franci Merzel
An Efficient Symplectic Integration Algorithm for Molecular Dynamics Simulations. J. Chem. Inf. Comput. Sci. 35 (2) (1995)
Dusanka Janezic, Richard M. Venable, Martin Karplus
Harmonic Analysis of Large Systems. III. Comparison with Molecular Dynamics. J. Comput. Chem. 16 (12) (1995)
Roman Trobec, Dusanka Janezic
Comparison of Parallel Verlet and Implicit Runge-Kutta Methods for Molecular Dynamics Integration. J. Chem. Inf. Comput. Sci. 35 (1) (1995)
Dusanka Janezic, Roman Trobec
Parallelization of an Implicit Runge-Kutta Method for Molecular Dynamics Integration. J. Chem. Inf. Comput. Sci. 34 (3) (1994)
Roman Trobec, Izidor Jerebic, Dusanka Janezic
Parallel Algorithm for Molecular Dynamics Integration. Parallel Comput. 19 (9) (1993)
Dusanka Janezic, Bojan Orel
Implicit Runge-Kutta method for molecular dynamics integration. J. Chem. Inf. Comput. Sci. 33 (2) (1993)
Dusanka Janezic, Matej Penca, B. B. Lide, David R. Lide
Graphical handling of wide-ranging data: graphing of photon cross-section data. J. Chem. Inf. Comput. Sci. 30 (1) (1990)