Wyniki wyszukiwania - BazTech

1

Techniques of nominal data analyses

Stanisz A., Broniatowska E

Bio-Algorithms and Med-Systems

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2012

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Vol. 8, no. 2

237--254

EN

Several advanced techniques for statistical analysis of nominal data were discussed to show how interesting associations between examined variables can be obtained using correspondence analysis, logistic regression and log-linear models. All these techniques are introduced on the example of medical data connected with the patients being on the curative diet. The studied data concerns four nominal variables: breaking the diet, overcoming diseases requiring the curative diet, sex and age of patient. Applied analyses were used for searching which of factors mentioned above influence on breaking the diet. The most popular technique in this case, chi-squared test of independence, indicates that only the age and illnesses overcoming before are related with breaking the diet whereas the sex is factor which does not have any relationship with the diet breaking. However, the deeper analysis revealed that we can not omit this variable in our research. Application of more compound statistical methods show the importance of age and sex in breaking the curative diet in detail. Presented methodology can be successfully applied not only in medicine but to data coming from different branches of science as well.

2

Chemical pathways - application to the classification of the molecular point groups

Broniatowska E

Bio-Algorithms and Med-Systems

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2009

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Vol. 5, no. 9

117--120

EN

The article concerns the application of the flow chart in the teaching of the aspects of group theory used in chemistry. It presents the diagram showing particular steps in the process of molecular classification in the sense of symmetry. The problem of recognition of the correct molecular point group is troublesome for students. Such diagram could facilitate the understanding and studying of the assignment of the point group to a particular molecule. The picture of the algorithm was prepared using authoring tool called BIT Pathway Editor.

3

The ligand database server

Broniatowska E, Stępień O., Roterman I.

Bio-Algorithms and Med-Systems

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2006

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Vol. 2, no. 4

21--24

EN

The new database (library) of all smal molecules - ligands creating complexes with protein molecules deposited in the Protein Data Bank is provided. The library contains complete Chemical information for all ligands making possible calculations for the complex; e.g. the ground state electronic structure and partial charges, both calculated by quantum-chemical methods and non-bonding parameters. These properties of ligand molecule are important for computer simulation of protein-ligand interactions. The ligand library can be useful in designing the biochemical experiments such as identification of possible ligands for proteins or drug design in the sense of similarity search to natural ligand for potential competitive inhibitors. The server is freely available via website: www.bioinformatics.cm-uj.krakow.pl/ligands.

PL

Artykuł przedstawia nową bazę danych (bibliotekę) zawierającą ligandy - molekuły tworzące naturalne kompleksy z białkami, zebranymi w bazie Protein Data Bank (PDB). Prezentowana biblioteka zawiera pełną charakterystykę liganda, niezbędną w symulacjach komputerowych kompleksów białko-ligand, np.: ładunki cząstkowe, parametry niewiążące van der Waalsa oraz parametry potencjału torsyjnego. Informacje zawarte w bazie mogą być również wykorzystane w opracowywaniu biochemicznych eksperymentów, takich jak identyfikacja możliwych ligandów białek czy projektowanie leków, przez podobieństwo do naturalnych ligandów, jako potencjalnych inhibitorów kompetycyjnych. Baza jest dostępna na stronie internetowej: www.bioinforma-tics.cm-uj.krakow.pl/ligands.