Dusanka Janezic

According to our database1, Dusanka Janezic authored at least 49 papers between 1990 and 2017.

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

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2017
GenProBiS: web server for mapping of sequence variants to protein binding sites.
Nucleic Acids Research, 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.
Journal of Chemical Information and Modeling, 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.
Journal of Chemical Information and Modeling, 2015

ProBiS-CHARMMing: Web Interface for Prediction and Optimization of Ligands in Protein Binding Sites.
Journal of Chemical Information and Modeling, 2015

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

Molecular dynamics to enhance structure-based virtual screening on cathepsin B.
Journal of Computer-Aided Molecular Design, 2015

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

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

Structurally Conserved Binding Sites of Hemagglutinin as Targets for Influenza Drug and Vaccine Development.
Journal of Chemical Information and Modeling, 2013

Exact Parallel Maximum Clique Algorithm for General and Protein Graphs.
Journal of Chemical Information and Modeling, 2013

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

ProBiS-Database: Precalculated Binding Site Similarities and Local Pairwise Alignments of PDB Structures.
Journal of Chemical Information and Modeling, 2012

Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues.
Journal of Chemical Information and Modeling, 2012

Parallel-ProBiS: Fast parallel algorithm for local structural comparison of protein structures and binding sites.
Journal of Computational Chemistry, 2012

2011
The distributed diagonal force decomposition method for parallelizing molecular dynamics simulations.
Journal of Computational Chemistry, 2011

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

Protein-Protein Binding Site Prediction by Local Structural Alignment.
Journal of Chemical Information and Modeling, 2010

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

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

2008
Protein Surface Conservation in Binding Sites.
Journal of Chemical Information and Modeling, 2008

New all-atom force field for molecular dynamics simulation of an AlPO4-34 molecular sieve.
Journal of Computational Chemistry, 2008

2007
Protein-Protein Binding-Sites Prediction by Protein Surface Structure Conservation.
Journal of Chemical Information and Modeling, 2007

Cluj and Related Polynomials Applied in Correlating Studies.
Journal of Chemical Information and Modeling, 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.
Journal of Chemical Information and Modeling, 2006

New force field for calcium binding sites in annexin-membrane complexes.
Journal of Computational Chemistry, 2006

2005
Molecular Dynamics Integration Meets Standard Theory of Molecular Vibrations.
Journal of Chemical Information and Modeling, 2005

The Regional Biophysics Meeting March 16-20, 2005, Zrece, Slovenia.
Journal of Chemical Information and Modeling, 2005

Periodic Cages.
Journal of Chemical Information and Modeling, 2005

Symplectic Molecular Dynamics Simulations on Specially Designed Parallel Computers.
Journal of Chemical Information and Modeling, 2005

2004
Enumeration of Conjugated Circuits in Nanotubes.
Journal of Chemical Information and Modeling, 2004

The Eighteenth International Course & Conference on the Interfaces among Mathematics, Chemistry & Computer Sciences June 23-28, 2003 Dubrovnik, Croatia.
Journal of Chemical Information and Modeling, 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.
Journal of Chemical Information and Modeling, 2004

Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters.
Journal of Chemical Information and Modeling, 2004

2003
Molecular Dynamics Integration Time Step Dependence of the Split Integration Symplectic Method on System Density.
Journal of Chemical Information and Computer Sciences, 2003

1997
The Complexity of Parallel Symplectic Molecular Dynamics Algorithms.
Journal of Chemical Information and Computer Sciences, 1997

Split Integration Symplectic Method for Molecular Dynamics Integration.
Journal of Chemical Information and Computer Sciences, 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.
Journal of Chemical Information and Computer Sciences, 1995

An Efficient Symplectic Integration Algorithm for Molecular Dynamics Simulations.
Journal of Chemical Information and Computer Sciences, 1995

Harmonic Analysis of Large Systems. III. Comparison with Molecular Dynamics.
Journal of Computational Chemistry, 1995

Harmonic Analysis of Large Systems. II. Comaprison of Different Protein Models.
Journal of Computational Chemistry, 1995

Harmonic Analysis of Large Systems. I. Methodology.
Journal of Computational Chemistry, 1995

1994
Parallelization of an Implicit Runge-Kutta Method for Molecular Dynamics Integration.
Journal of Chemical Information and Computer Sciences, 1994

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

Implicit Runge-Kutta method for molecular dynamics integration.
Journal of Chemical Information and Computer Sciences, 1993

1990
Graphical handling of wide-ranging data: graphing of photon cross-section data.
Journal of Chemical Information and Computer Sciences, 1990


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