Dusanka Janezic

According to our database, Dusanka Janezic authored at least 55 papers between 1990 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

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

Janez Konc, Samo Lesnik, Blaz Skrlj, Matej Sova, Matic Proj, Damijan Knez, Stanislav Gobec, Dusanka Janezic

J. Chem. Inf. Model., 2022

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.

Janez Konc, Dusanka Janezic

J. Chem. Inf. Model., 2022

2021

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

Janez Konc, Samo Lesnik, Blaz Skrlj, Dusanka Janezic

J. Chem. Inf. Model., 2021

2019

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

Katarina Kores, Samo Lesnik, Urban Bren, Dusanka Janezic, Janez Konc

J. Chem. Inf. Model., 2019

2017

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

Marko Jukic, Janez Konc, Stanislav Gobec, Dusanka Janezic

J. Chem. Inf. Model., December, 2017

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

Janez Konc, Blaz Skrlj, Nika Erzen, Tanja Kunej, Dusanka Janezic

Nucleic Acids Res., 2017

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

Samo Lesnik, Blaz Skrlj, Nika Erzen, Urban Bren, Stanislav Gobec, Janez Konc, Dusanka Janezic

J. Cheminformatics, 2017

2016

H274Y's Effect on Oseltamivir Resistance: What Happens Before the Drug Enters the Binding Site.

Muhammad Yusuf, Nornisah Mohamed, Suriyati Mohamad, Dusanka Janezic, K. V. Damodaran, Habibah A. Wahab

J. Chem. Inf. Model., 2016

Ligand-based virtual screening interface between PyMOL and LiSiCA.

Athira Dilip, Samo Lesnik, Tanja Stular, Dusanka Janezic, Janez Konc

J. Cheminformatics, 2016

2015

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

Samo Lesnik, Tanja Stular, Boris Brus, Damijan Knez, Stanislav Gobec, Dusanka Janezic, Janez Konc

J. Chem. Inf. Model., 2015

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

Janez Konc, Benjamin T. Miller, Tanja Stular, Samo Lesnik, H. Lee Woodcock III, Bernard R. Brooks, Dusanka Janezic

J. Chem. Inf. Model., 2015

Modeling enzyme-ligand binding in drug discovery.

Janez Konc, Samo Lesnik, Dusanka Janezic

J. Cheminformatics, 2015

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

Mitja Ogrizek, Samo Turk, Samo Lesnik, Izidor Sosic, Milan Hodoscek, Bojana Mirkovic, Janko Kos, Dusanka Janezic, Stanislav Gobec, Janez Konc

J. Comput. Aided Mol. Des., 2015

2014

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

Janez Konc, Dusanka Janezic

Nucleic Acids Res., 2014

2013

Structure-Based Function Prediction of Uncharacterized Protein Using Binding Sites Comparison.

Janez Konc, Milan Hodoscek, Mitja Ogrizek, Joanna Trykowska Konc, Dusanka Janezic

PLoS Comput. Biol., 2013

Structurally Conserved Binding Sites of Hemagglutinin as Targets for Influenza Drug and Vaccine Development.

Muhammad Yusuf, Janez Konc, Sy Bing Choi, Joanna Trykowska Konc, Nurul Bahiyah Ahmad Khairudin, Dusanka Janezic, Habibah A. Wahab

J. Chem. Inf. Model., 2013

Exact Parallel Maximum Clique Algorithm for General and Protein Graphs.

Matjaz Depolli, Janez Konc, Kati Rozman, Roman Trobec, Dusanka Janezic

J. Chem. Inf. Model., 2013

2012

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

Janez Konc, Dusanka Janezic

Nucleic Acids Res., 2012

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

Janez Konc, Tomo Cesnik, Joanna Trykowska Konc, Matej Penca, Dusanka Janezic

J. Chem. Inf. Model., 2012

Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues.

Nejc Carl, Milan Hodoscek, Blaz Vehar, Janez Konc, Bernard R. Brooks, Dusanka Janezic

J. Chem. Inf. Model., 2012

Parallel-ProBiS: Fast parallel algorithm for local structural comparison of protein structures and binding sites.

Janez Konc, Matjaz Depolli, Roman Trobec, Kati Rozman, Dusanka Janezic

J. Comput. Chem., 2012

2011

The distributed diagonal force decomposition method for parallelizing molecular dynamics simulations.

Urban Borstnik, Benjamin T. Miller, Bernard R. Brooks, Dusanka Janezic

J. Comput. Chem., 2011

2010

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

Janez Konc, Dusanka Janezic

Nucleic Acids Res., 2010

Protein-Protein Binding Site Prediction by Local Structural Alignment.

Nejc Carl, Janez Konc, Blaz Vehar, Dusanka Janezic

J. Chem. Inf. Model., 2010

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

Janez Konc, Dusanka Janezic

Bioinform., 2010

2009

Topological Complexity of Molecules.

Dusanka Janezic, Ante Milicevic, Sonja Nikolic, Nenad Trinajstic

Proceedings of the Encyclopedia of Complexity and Systems Science, 2009

2008

Protein Surface Conservation in Binding Sites.

Nejc Carl, Janez Konc, Dusanka Janezic

J. Chem. Inf. Model., 2008

New all-atom force field for molecular dynamics simulation of an AlPO₄-34 molecular sieve.

Matej Praprotnik, Stanko Hocevar, Milan Hodoscek, Matej Penca, Dusanka Janezic

J. Comput. Chem., 2008

2007

Protein-Protein Binding-Sites Prediction by Protein Surface Structure Conservation.

Janez Konc, Dusanka Janezic

J. Chem. Inf. Model., 2007

Cluj and Related Polynomials Applied in Correlating Studies.

Mircea V. Diudea, Aniela E. Vizitiu, Dusanka Janezic

J. Chem. Inf. Model., 2007

A Branch and Bound Algorithm for Matching Protein Structures.

Janez Konc, Dusanka Janezic

Proceedings of the Adaptive and Natural Computing Algorithms, 8th International Conference, 2007

2006

Retro-Leapfrog and Related Retro Map Operations.

Aniela E. Vizitiu, Mircea V. Diudea, Sonja Nikolic, Dusanka Janezic

J. Chem. Inf. Model., 2006

New force field for calcium binding sites in annexin-membrane complexes.

Franci Merzel, Milan Hodoscek, Dusanka Janezic, Alain Sanson

J. Comput. Chem., 2006

2005

Molecular Dynamics Integration Meets Standard Theory of Molecular Vibrations.

Matej Praprotnik, Dusanka Janezic

J. Chem. Inf. Model., 2005

The Regional Biophysics Meeting March 16-20, 2005, Zrece, Slovenia.

Dusanka Janezic

J. Chem. Inf. Model., 2005

Periodic Cages.

Mircea V. Diudea, Csaba L. Nagy, Ioan Silaghi-Dumitrescu, Ante Graovac, Dusanka Janezic, Drazen Vikic-Topic

J. Chem. Inf. Model., 2005

Symplectic Molecular Dynamics Simulations on Specially Designed Parallel Computers.

Urban Borstnik, Dusanka Janezic

J. Chem. Inf. Model., 2005

2004

Enumeration of Conjugated Circuits in Nanotubes.

István Lukovits, Dusanka Janezic

J. Chem. Inf. Model., 2004

The Eighteenth International Course & Conference on the Interfaces among Mathematics, Chemistry & Computer Sciences June 23-28, 2003 Dubrovnik, Croatia.

Dusanka Janezic, Ante Graovac

J. Chem. Inf. Model., 2004

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.

Urban Borstnik, Dusanka Janezic

J. Chem. Inf. Model., 2004

Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters.

Urban Borstnik, Milan Hodoscek, Dusanka Janezic

J. Chem. Inf. Model., 2004

2003

Molecular Dynamics Integration Time Step Dependence of the Split Integration Symplectic Method on System Density.

Dusanka Janezic, Matej Praprotnik

J. Chem. Inf. Comput. Sci., 2003

1999

Long Time Step MD Simulations Using Split Integration Symplectic Method.

Dusanka Janezic, Franci Merzel

Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999

1997

The Complexity of Parallel Symplectic Molecular Dynamics Algorithms.

Roman Trobec, Franci Merzel, Dusanka Janezic

J. Chem. Inf. Comput. Sci., 1997

Split Integration Symplectic Method for Molecular Dynamics Integration.

Dusanka Janezic, Franci Merzel

J. Chem. Inf. Comput. Sci., 1997

Computational Complexity of Split Symplectic MD Integration Method.

Roman Trobec, Franci Merzel, Dusanka Janezic

Proceedings of the Parallel Computing: Fundamentals, 1997

1995

Comparison of Parallel Verlet and Implicit Runge-Kutta Methods for Molecular Dynamics Integration.

Roman Trobec, Dusanka Janezic

J. Chem. Inf. Comput. Sci., 1995

An Efficient Symplectic Integration Algorithm for Molecular Dynamics Simulations.

Dusanka Janezic, Franci Merzel

J. Chem. Inf. Comput. Sci., 1995

Harmonic Analysis of Large Systems. III. Comparison with Molecular Dynamics.

Dusanka Janezic, Richard M. Venable, Martin Karplus

J. Comput. Chem., 1995

Harmonic Analysis of Large Systems. II. Comaprison of Different Protein Models.

Dusanka Janezic, Martin Karplus

J. Comput. Chem., 1995

Harmonic Analysis of Large Systems. I. Methodology.

Bernard R. Brooks, Dusanka Janezic, Martin Karplus

J. Comput. Chem., 1995

1994

Parallelization of an Implicit Runge-Kutta Method for Molecular Dynamics Integration.

Dusanka Janezic, Roman Trobec

J. Chem. Inf. Comput. Sci., 1994

1993

Parallel Algorithm for Molecular Dynamics Integration.

Roman Trobec, Izidor Jerebic, Dusanka Janezic

Parallel Comput., 1993

Implicit Runge-Kutta method for molecular dynamics integration.

Dusanka Janezic, Bojan Orel

J. Chem. Inf. Comput. Sci., 1993

1990

Graphical handling of wide-ranging data: graphing of photon cross-section data.

Dusanka Janezic, Matej Penca, B. B. Lide, David R. Lide

J. Chem. Inf. Comput. Sci., 1990