CICADA: Parallelization and Related Problems

Kosina,  Aleš; Kříž,  Zdeněk; Koča,  Jaroslav

CICADA: Parallelization and Related Problems

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Authors	KOSINA Aleš KŘÍŽ Zdeněk KOČA Jaroslav
Year of publication	2005
Type	Article in Proceedings
Conference	Workshop on Modeling Interactions in Biomolecules II
MU Faculty or unit	Faculty of Science
Citation
Field	Biochemistry
Keywords	Single Coordinate Driving; Parallelization; Conformational Analysis; result verification
Description	CICADA programme is based on SCD (Single Coordinate Driving) approach and is used for a comformational analysis and molecular docing of small and middle sized molecules. CICADA programme was parallelized in Master-Slave approach. The programme were extensively tested for the correctness on different computer environment and is showen result independece on number of CPU and eviroment.
Related projects:	Proteins in metabolism and interaction of organisms with the environment Biomolecular Structure-function Relationships and their role in the Metabolism