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Projects / Programmes source: ARIS

Bioinformatics and statistical mechanics of molecular systems

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Periods
January 1, 1999 - December 31, 2003
Research activity

Code Science Field Subfield
1.04.00  Natural sciences and mathematics  Chemistry   
1.05.00  Natural sciences and mathematics  Biochemistry and molecular biology   

Code Science Field
P400  Natural sciences and mathematics  Physical chemistry 
P410  Natural sciences and mathematics  Theoretical chemistry, quantum chemistry 
P320  Natural sciences and mathematics  Nucleic acids, protein synthesis 
P351  Natural sciences and mathematics  Structure chemistry 
P190  Natural sciences and mathematics  Mathematical and general theoretical physics, classical mechanics, quantum mechanics, relativity, gravitation, statistical physics, thermodynamics 
Evaluation (rules)
source: COBISS
Evaluation of bibliographic research performance indicators according to ARIS methodology
Citations Citations for bibliographic records in COBIB.SI that are linked to records in citation databases
source: WoS source: Scopus source: COBISS
Researchers (6)
no. Code Name and surname Research area Role Period No. of publications
1.  02286  PhD Branimir Borštnik  Chemistry  Head  2001 - 2003  152 
2.  17255  Tatjana Karba    Researcher  2001 - 2003  0 
3.  19576  PhD Gregor Mlinšek  Cardiovascular system  Researcher  2001 - 2003  172 
4.  20159  PhD Marko Oblak  Pharmacy  Researcher  2001 - 2003  52 
5.  01665  PhD Danilo Pumpernik  Chemistry  Researcher  2001 - 2003  54 
6.  01661  PhD Tomaž Šolmajer  Chemistry  Researcher  2001 - 2003  380 
Organisations (1)
no. Code Research organisation City Registration number No. of publications
1.  0104  National Institute of Chemistry  Ljubljana  5051592000  21,007 
Abstract
The research proposed in the program entitled "Bioinformatics and statistical mechanics of molecular systems" has interdisciplinary character since the research activities are placed within the area of chemistry, molecular biology and statistical physics, with the main emphasis on bioinformatics. The field of bioinformatics is getting more and more attention, especially due to the importance of the results of the Human Genome project which is rapidly approaching the state of completion. The enormous potential value of the results provided by the Human Genome project will be exploited also in the course of the research in the framework of the present research program. The work will proceed along several lines. DNA sequences from the genetic sequence data bases will be used and various types of the analysis will be performed. By aligning the sequences of orthologous and paralogous genes the reconstruction of the mutational events will be performed. The results will be analysed in the framework of models based on statistical physics. As the output of such analyses one can expect that the results will emerge which will have the relevance to fundamental questions regarding the molecular evolution and function of the gene products. For the purpose of maximal efficiency of statistical elaboration of the results of DNA sequence analyses the development of the statistical mechanics methodologies will be also pursued in the framework of the present research program. In parallel the work will proceed along the standard lines of rational drug design. The structure of enzyme - ligand complex at the active site will be studied. The methods of molecular mechanics, molecular dynamics and ab initio methods of electronic structure determination will be used. The design of new inhibitors of various enzymes (serine protease, beta-lactamase, DNA gyrase) will be approached.
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