|In Charge:||Arno Stefani|
|Duration:||03/10 -- 03/14|
|Keywords:||protein interaction, mutual information, scoring|
Molecular docking represents a versatile and important computational method for determining the structure of protein-protein complexes. Despite considerable efforts during the past years, a general solution to this problem is not yet within reach. One major problem is the definition of suitable criteria for a scoring function that allows the identification of a good docking solution among many false arrangements. Our present work demonstrates that the concepts from information theory can be adapted to treat the biological problem of protein-protein docking. We have developed a formalism on the concept of mutual information (MI) to investigate different features with respect to their information content in protein docking and we have also shown that MI-values can successfully be converted into a scoring function. Current work includes the analysis of larger datasets and more sophisticated structural features to obtain a robust and widely applicable approach.
- Generation of good scoring functions
- Information theoretic analysis of scoring
- Prof. Dr.-Ing. J. Huber
- Arno Stefani, M.Sc.
- Prof. Dr. rer. nat. H. Sticht
- Dr. rer. nat. Christophe Jardin
Institute for Information Transimission at FAU Erlangen-Nuremberg, Bioinformatics Group of the Institute for Biochemistry at FAU Erlangen-Nuremberg