Detailed Information on Publication Record
2010
grid-CICADA: Efficient Explorer of Conformational Space of Biomolecular Systems
ŠTĚPÁN, Jakub, Petr KULHÁNEK, Zdeněk KŘÍŽ, Jan KMUNÍČEK, Jaroslav KOČA et. al.Basic information
Original name
grid-CICADA: Efficient Explorer of Conformational Space of Biomolecular Systems
Authors
ŠTĚPÁN, Jakub (203 Czech Republic, guarantor, belonging to the institution), Petr KULHÁNEK (203 Czech Republic, belonging to the institution), Zdeněk KŘÍŽ (203 Czech Republic, belonging to the institution), Jan KMUNÍČEK (203 Czech Republic, belonging to the institution), Jaroslav KOČA (203 Czech Republic, belonging to the institution) and Luděk MATYSKA (203 Czech Republic, belonging to the institution)
Edition
5th EGEE User Forum, 2010
Other information
Language
English
Type of outcome
Prezentace na konferencích
Field of Study
10403 Physical chemistry
Country of publisher
Sweden
Confidentiality degree
není předmětem státního či obchodního tajemství
References:
RIV identification code
RIV/00216224:14310/10:00051414
Organization unit
Faculty of Science
Keywords (in Czech)
CICADA; PES; konformační prostor; folding proteinů; gridové vysoko-kapacitní výpočty; distribuované výpočty
Keywords in English
CICADA; PES; conformational space; folding; grid high-throughput computing; distributed computing
Změněno: 21/3/2012 14:37, Mgr. Anísa Kabarová
Abstract
V originále
Knowledge of conformational space is essential in assessment of dynamical behaviour of biomolecules, which is important, for example, in drug design and folding studies. Unfortunately, systematic exploration of conformational space is impossible due to its high complexity. To circumvent this problem, we have developed the program CICADA that tries to rationalize the search in such a space. In this work, we will demonstrate utilization of innovated version of CICADA in the grid environment during the study of selected middle size biomolecules.
Links
| LC06030, research and development project |
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| MSM0021622413, plan (intention) |
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