Dusanka Janezic

According to our database1, Dusanka Janezic authored at least 51 papers between 1990 and 2019.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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In proceedings 
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PhD thesis 
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Links

On csauthors.net:

Bibliography

2019
Discovery of Novel Potential Human Targets of Resveratrol by Inverse Molecular Docking.
J. Chem. Inf. Model., 2019

2017
GenProBiS: web server for mapping of sequence variants to protein binding sites.
Nucleic Acids Res., 2017

BoBER: web interface to the base of bioisosterically exchangeable replacements.
J. Cheminformatics, 2017

2016
H274Y's Effect on Oseltamivir Resistance: What Happens Before the Drug Enters the Binding Site.
J. Chem. Inf. Model., 2016

Ligand-based virtual screening interface between PyMOL and LiSiCA.
J. Cheminformatics, 2016

2015
LiSiCA: A Software for Ligand-Based Virtual Screening and Its Application for the Discovery of Butyrylcholinesterase Inhibitors.
J. Chem. Inf. Model., 2015

ProBiS-CHARMMing: Web Interface for Prediction and Optimization of Ligands in Protein Binding Sites.
J. Chem. Inf. Model., 2015

Modeling enzyme-ligand binding in drug discovery.
J. Cheminformatics, 2015

Molecular dynamics to enhance structure-based virtual screening on cathepsin B.
J. Comput. Aided Mol. Des., 2015

2014
ProBiS-ligands: a web server for prediction of ligands by examination of protein binding sites.
Nucleic Acids Res., 2014

2013
Structure-Based Function Prediction of Uncharacterized Protein Using Binding Sites Comparison.
PLoS Comput. Biol., 2013

Structurally Conserved Binding Sites of Hemagglutinin as Targets for Influenza Drug and Vaccine Development.
J. Chem. Inf. Model., 2013

Exact Parallel Maximum Clique Algorithm for General and Protein Graphs.
J. Chem. Inf. Model., 2013

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

ProBiS-Database: Precalculated Binding Site Similarities and Local Pairwise Alignments of PDB Structures.
J. Chem. Inf. Model., 2012

Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues.
J. Chem. Inf. Model., 2012

Parallel-ProBiS: Fast parallel algorithm for local structural comparison of protein structures and binding sites.
J. Comput. Chem., 2012

2011
The distributed diagonal force decomposition method for parallelizing molecular dynamics simulations.
J. Comput. Chem., 2011

2010
ProBiS: a web server for detection of structurally similar protein binding sites.
Nucleic Acids Res., 2010

Protein-Protein Binding Site Prediction by Local Structural Alignment.
J. Chem. Inf. Model., 2010

ProBiS algorithm for detection of structurally similar protein binding sites by local structural alignment.
Bioinform., 2010

2009
Topological Complexity of Molecules.
Proceedings of the Encyclopedia of Complexity and Systems Science, 2009

2008
Protein Surface Conservation in Binding Sites.
J. Chem. Inf. Model., 2008

New all-atom force field for molecular dynamics simulation of an AlPO<sub>4</sub>-34 molecular sieve.
J. Comput. Chem., 2008

2007
Protein-Protein Binding-Sites Prediction by Protein Surface Structure Conservation.
J. Chem. Inf. Model., 2007

Cluj and Related Polynomials Applied in Correlating Studies.
J. Chem. Inf. Model., 2007

A Branch and Bound Algorithm for Matching Protein Structures.
Proceedings of the Adaptive and Natural Computing Algorithms, 8th International Conference, 2007

2006
Retro-Leapfrog and Related Retro Map Operations.
J. Chem. Inf. Model., 2006

New force field for calcium binding sites in annexin-membrane complexes.
J. Comput. Chem., 2006

2005
Molecular Dynamics Integration Meets Standard Theory of Molecular Vibrations.
J. Chem. Inf. Model., 2005

The Regional Biophysics Meeting March 16-20, 2005, Zrece, Slovenia.
J. Chem. Inf. Model., 2005

Periodic Cages.
J. Chem. Inf. Model., 2005

Symplectic Molecular Dynamics Simulations on Specially Designed Parallel Computers.
J. Chem. Inf. Model., 2005

2004
Enumeration of Conjugated Circuits in Nanotubes.
J. Chem. Inf. Model., 2004

The Eighteenth International Course & Conference on the Interfaces among Mathematics, Chemistry & Computer Sciences June 23-28, 2003 Dubrovnik, Croatia.
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.
J. Chem. Inf. Model., 2004

Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters.
J. Chem. Inf. Model., 2004

2003
Molecular Dynamics Integration Time Step Dependence of the Split Integration Symplectic Method on System Density.
J. Chem. Inf. Comput. Sci., 2003

1999
Long Time Step MD Simulations Using Split Integration Symplectic Method.
Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999

1997
The Complexity of Parallel Symplectic Molecular Dynamics Algorithms.
J. Chem. Inf. Comput. Sci., 1997

Split Integration Symplectic Method for Molecular Dynamics Integration.
J. Chem. Inf. Comput. Sci., 1997

Computational Complexity of Split Symplectic MD Integration Method.
Proceedings of the Parallel Computing: Fundamentals, 1997

1995
Comparison of Parallel Verlet and Implicit Runge-Kutta Methods for Molecular Dynamics Integration.
J. Chem. Inf. Comput. Sci., 1995

An Efficient Symplectic Integration Algorithm for Molecular Dynamics Simulations.
J. Chem. Inf. Comput. Sci., 1995

Harmonic Analysis of Large Systems. III. Comparison with Molecular Dynamics.
J. Comput. Chem., 1995

Harmonic Analysis of Large Systems. II. Comaprison of Different Protein Models.
J. Comput. Chem., 1995

Harmonic Analysis of Large Systems. I. Methodology.
J. Comput. Chem., 1995

1994
Parallelization of an Implicit Runge-Kutta Method for Molecular Dynamics Integration.
J. Chem. Inf. Comput. Sci., 1994

1993
Parallel Algorithm for Molecular Dynamics Integration.
Parallel Comput., 1993

Implicit Runge-Kutta method for molecular dynamics integration.
J. Chem. Inf. Comput. Sci., 1993

1990
Graphical handling of wide-ranging data: graphing of photon cross-section data.
J. Chem. Inf. Comput. Sci., 1990


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