List of lectures and posters





Mustapha Aouchiche, Gilles Caporossi, Pierre Hansen, Marie Laffay

What can the computer say about the Randic index

Željko Bajzer, Yves Nomine, Georges Mer

Fractal kinetics and its application to BIACORE binding data analysis

Matthias Bernt, Daniel Merkle, Martin Middendorf

Heuristics for the Reversal Median Problem: How to select good reversals?

Branko Borštnik, Borut Oblak, Danilo Pumpernik

Mutability of short sequence repeats in human genome

Matevž Bren, Vladimir Batagelj

MixeR package for compositional data analysis

Urban Bren, Jan Florian

Decomposition of the Free Energy Using the Free Energy Perturbation Method

Patrick Bultinck, Ana Gallegos, Sofie Van Damme, Robert Ponec, Ramon Carbó-Dorca


Jerzy Cioslowski

Studies of homogeneous electron gas

Attila G. Császár, Eszter Czinki

On the use of ICS and CSA NMR data for predicting secondary structures of peptides and proteins

Jiří  Czernek

Ab initio Studies on Low-Energy Conformers of Oligopeptides

Kirill Degtyarenko

Chemical Ontologies for Bioinformatics

Claudia Fried, Peter F. Stadler

Transcription Factor Target Detection in Comparative Genomics

Guido Fritzsch, Sonja J. Prohaska, Peter F. Stadler

Partial Orders, Molecular Phylogenies, and Migration

Shinsaku Fujita

Sphericities of Cycles. What Polya's Theorem is Deficient in

Robert Glaser, Itzhak Ergaz

Solid-State and Solution-State Conformational Differences as Shown by Solution-State and 13C CP/MAS NMR Studies on Conformational Polymorphic Crystals Assisted by Quantum-Mechanical Calculations of Shielding and Spin-Spin Coupling Constants

Boris Hollas

The Redundancy of Topological Indices

Dušanka Janežič, Franci Merzel, Matej Praprotnik

Analytical treatment of  hydrogen vibrations in molecular dynamics simulation

Stefan Janson, Daniel Merkle

A Multi-Objective Particle Swarm Optimization Algorithm Applied to Molecular Docking

Peter E. John, Horst Sachs

A 2-parametric class of transformations for fullerenes and other polyhedra

Nenad Juranić, Franklyn Prendergast, Slobodan Macura

De Novo Determination of Protein Substructures from Residual Dipolar and Hydrogen Bond NMR Couplings of Peptide Groups

Davor Juretić, Paško Županović, Srećko Botrić

The maximum entropy production principle as the  guideline for predicting evolution of complex systems

Gábor Keresztury, Krisztina István, Tom Sundius

Applicability of the SQM Force Field Method to the Vibrational Spectra of charged systems: Sodium Acetate

Rabah A. Khalil, Yosif A. Shahab

A New Approach to NMR Chemical Shift Additivity Parameters Using Simultaneous Linear Equation Method

Matthias Kruspe, Peter F. Stadler

Progressive Multiple Sequence Alignments from Triplets

István László

Geometric and electronic structure of carbon nanotube junctions

István Lukovits


Csaba Magyar, Michael M Gromiha, István Simon

Stabilizing Residues in Proteins

Mladen Martinis, Vesna Mikuta-Martinis

Application of Random Matrix Theory to BioSignal Analysis

Zlatko Meić, Tomislav Biljan

Non-vibrational features in NIR FT‑Raman spectra of lanthanide sesquioxides

Markus Meringer

CASE via MS: Generation of Molecular Structures and Structure Ranking by Mass Spectra

Kristin Missal, Dominic Rose, Peter F. Stadler

Computational identification of ncRNAs in Invertebrates by comparative genomics

Ghorban Ali Moghani, Ali Reza.Ashrafi

Properties of Tetraammine Platinum(II)  with C2v and C4v point groups

Axel Mosig, Sonja J. Prohaska, Peter F. Stadler

Optimizing Barbeques and Tanimoto Scores with Applications in Regulatory Motif Discovery

Andrej Mrvar, Vladimir Batagelj

Relinking Marriages in Genealogy of Ragusan Noble Families

between 12th and 16th Century

Igor Pak

Constructing convex polyhedra

Katarzyna Pernal

An effective potential for

the natural spinorbitals

Krunoslav Pisk

Einstein: from Special Theory of Relativity (1905), through General Theory of Relativity (1916), until Cosmological Term (1917)

Robert Ponec


Javad Safaei-Ghomi, Zohreh Alishahi

Preparation of Some Novel Indazole Derivatives by Using Chalcones

Gerrit Schüürmann

Quantum Chemical Parameters for Structure‑Activity Relationships – Mechanistic Interpretation and Dependence  on the Level of Theory

Guido Fritzsch, Sonja J. Prohaska, Peter F. Stadler

Partial Orders, Molecular Phylogenies, and Migration

James Sawyer

De Revolution VII Six Dimensions

Roman R. Stocsits, Peter F. Stadler

RNA Consensus Structures in Molecular Morphology

Nikola Štambuk, Paško Konjevoda, Nikola Gotovac, Biserka Pokrić

Molecular recognition of the complementary peptide structures

Serge S. Tratch, Nikolai S. Zefirov

The Easily Calculated Geometry Deviation Indices and Their Application to Characterization of Molecular Symmetry

Hrvoj Vančik

Multidimensional approach to solid state reaction Mechanisms

Damir Vukičević, Milan Randić

The fullerene C70 is one of the two most important fullerenes

Darko Veljan

Areas of some polygons and volumes of fullerenes

Damir Vukičević, Milan Randić

The fullerene C70 is one of the two most important fullerenes

Tomislav P. Živković

Exact quantum treatment of finite‑dimensional system in the interaction with the known infinite‑dimensional system









Tomislav Biljan, Zlatko Meić

Yb3+ as an origin of the strong anti‑Stokes luminescence in the NIR FT‑Raman spectra of some lanthanide sesquioxides

Marko Boben, Tomaž Pisanski, Arjana Žitnik

I-graphs and the Corresponding Configurations

Tomislav Cvitaš, Nenad Kezele, Leo Klasinc, Matevž Pompe, Marjan Veber

Frequency analysis of photochemical pollution data

András Dallos, R. Kresz

Testing of a priori vapor pressure and boiling point predictive  ability of COSMOtherm

Gergely Dezső, Iván Gyémánt

Special properties of density matrices derived from an arbitrary full-CI wave function

Mircea V. Diudea, Monica Ştefu, Peter E. John, Ante Graovac

Generalized Operations on Maps

Josipa Friščić, Sonja Nikolić, Marica Medić‑Šarić

QSPR Study of Flavonoid Compounds

Jana Hertel, Claudia Fried, Manja Lindemeyer, Kristin Missal,

Sonja J. Prohaska, Andrea Tanzer, Christoph Flamm, Ivo L. Hofacker

Peter F. Stadler, the students of the bioinform. compt.  labs 2004 and 2005

The Evolution of Animal miRNAs


Boris Horvat, Gašper Jaklič, Tomaž Pisanski

On the Number of Hamiltonian Groups

Ivana Ivančić-Baće, Ignacija Vlašić, Boris Mihaljević, Mirna Imešek,

Erika Salaj-Šmic, Krunoslav Brčić-Kostić

Mechanism of SOS induction in  Escherichia coli:  involment of RecA loading activity

Nenad Kezele, Glenda Šorgo, Leo Klasinc,  William A. Pryor

Gas phase reactions of ambiental CO and SO2 with ozone 

Edward C. Kirby

The cataloguing and encoding of toroidal fully resonant azulenoids  by the use of  toroidal fully resonant benzenoid templates

Leo Klasinc, Berta Košmrlj, Branka Kovač, Boris Šket

Electronic Structure of  halogenated diphenylmethanones

Leo Klasinc, Bogdan Kralj, Kata Mlinarić‑Majerski, Marko Rožman, Dunja Srzić, Ines Vujasinović,  Dušan Žigon

Metal Complexation of Thiacrown Ether Macrocycles by Mass Spectrometry in Liquid and Gas Phase

Paško Konjevoda

Data mining and identification of drug side-effects during clinical trials

Manuela Lindemeyer,Peter F. Stadler

snRNA search without a magnifying glass

Ante MILIČEVIĆ, Nenad Raos


Sonja Nikolić, Ante Miličević, Nenad Trinajstić

Toxicity of Aliphatic Ethers Revisited

Borut T. Oblak, Branko Borštnik

Tandem repeats in three dimensional structures of proteins

Alen Orbanić, Tomaž Pisanski

A Calculation and a Representation of Edge‑Transitive Maps of Small Order

Sonja J. Prohaska, Axel Mosig, Peter F. Stadler

Rearrangement of Regulatory Elements

Milan Randić, Alexandru T. Balaban, Dejan Plavšić

Graphical Representation of Proteins as Four-Color Maps and Their Numerical Representation

Wolfgang Schöfberger, Vilko Smrečki, Norbert Müller

Software implementation for covariance NMR spectroscopic investigations

Jelena Sedlar, Ivana Anđelić, Damir Vukičević, Ante Graovac, Ivan Gutman

Algebraic Kekulé Structures and Bond Orders in Benzenoids

Dragutin Svrtan

Intrinsic proofs for area and  circumradius of  cyclic hexagons.

Solving equations for arbitrary cyclic polygons

Serge S. Tratch, Marina S. Molchanova, Nikolai S. Zefirov

On the Regularity of Structural Degeneracy: Computer‑Aided Design of Semiregularly and Irregularly Degenerate Rearrangements

Oleg Ursu,  Mircea V. Diudea


Dražen Vikić-Topić

Deuterium isotope  effects  in NMR spectra








Josef Leydold

An Introduction to Nonuniform Random Variate Generation

István Simon

Intrinsically Unstructured Proteins