TY  - THES
T1  - Storing and analysing biomolecular contacts
A1  - Walter,Peter
Y1  - 2012/02/28
N2  - Biomolecular contacts play a crucial role in all areas of life. In particular, protein-protein (PP) interactions are essential for most processes in biological cells. Antigen-antibody recognition, enzyme substrate binding, hormone receptor binding, RNA splicing, DNA replication and signal transduction are just some examples for the rich variety of PP interactions. In the last years modern proteomic methods have helped to get a better understanding of the complexity within living cell and organism. More and more sequences of unknown proteins are deciphered, their function is revealed, structural details are detected and the interaction in the complex network of biological processes is uncovered. Contacts between proteins and small molecules (PL) describe the second important group for biomolecular contacts and play an essential role for drug design. The vast increase of such information necessitates the application of databases for easy handling and analysis of data. We created a database covering PP as well as PL interactions for which structural data are available. Using the database, we performed a number of analyses concerning features of protein-protein complexes, in particular the group of obligate and non-obligate interactions. Combining information from PP and PL complexes, we generated a prediction method for binding sites of small molecules on PP interface sites. Finally, we tested the applicability of features of PP interactions for the prediction of their kinetic parameters.
KW  - Bioinformatik
KW  - Maschinelles Lernen
KW  - Multiproteinkomplex
KW  - Kleines Molekül
KW  - Kinetik
KW  - Datenbankverwaltung
CY  - Saarbrücken
PB  - Universitäts- und Landesbibliothek
AD  - Postfach 151141, 66041 Saarbrücken
UR  - http://scidok.sulb.uni-saarland.de/volltexte/2012/4607
ER  -