Parallelization of the Programme CICADA

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Authors

KOSINA Aleš ČERNOHORSKÝ Martin KŘÍŽ Zdeněk

Year of publication 2004
Type Article in Proceedings
Conference 14th Summer School on Computing Techuniques in Physics: Cluster for Computing in Physics
MU Faculty or unit

Faculty of Science

Citation
Field Biochemistry
Keywords Parallelization; Single Coordinate Driving; Conformational Analysis; Grid
Description CICADA programme is based on SCD (Single Coordinate Driving) approach and is used for comformational analysis and molecular docing of small and middle sized molecules. CICADA programme was parallelized in Master-Slave approach. Results shows very good scalability even on small molecules with few rotable bonds. Programme can solve larger problems than its sequential predecessor.
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