Parallelization of the Programme CICADA
| Authors | |
|---|---|
| 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 | |
| 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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