Grid-enabled high throughput virtual screening

被引：0

作者：

Jacq, Nicolas ^{[1
]}

Breton, Vincent ^{[1
]}

Chen, Hsin-Yen ^{[2
]}

Ho, Li-Yung ^{[2
]}

Hoftmann, Martin ^{[3
]}

Lee, Hurng-Chun ^{[2
]}

Legre, Yannick ^{[1
]}

Lin, Simon C. ^{[2
]}

Maass, Astrid ^{[3
]}

Medernach, Emmanuel ^{[1
]}

Merelli, Ivan ^{[4
]}

Milanesi, Luciano ^{[4
]}

Rastelli, Giulio ^{[5
]}

Reichstadt, Matthieu ^{[1
]}

Salzemann, Jean ^{[1
]}

Schwichtenberg, Horst ^{[4
]}

Sridhar, Mahendrakar ^{[3
]}

Kasam, Vinod ^{[1
,3
]}

Wu, Ying-Ta ^{[2
]}

Zimmermann, Marc ^{[3
]}

机构：

[1] CNRS, UMR 6533, IN2P3, Lab Phys Corpusculaire, 24 Ave Landais, F-63177 Aubiere, France

[2] Acad Sinica, Taipei 115, Taiwan

[3] Fraunhofer Inst Algorithms & Sci Comp SCAI, D-53754 St Augustin, Germany

[4] CNR, Inst Biomed Technol, I-20090 Milan, Italy

[5] Univ Modena & Reggio Emilia, Dipartimento Sci Farmaceut, I-41100 Modena, Italy

来源：

DISTRIBUTED, HIGH-PERFORMANCE AND GRID COMPUTING IN COMPUTATIONAL BIOLOGY, PROCEEDINGS | 2007年 / 4360卷

关键词：

large scale grids; virtual screening; malaria; avian influenza;

D O I：

暂无

中图分类号：

Q [生物科学];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Large scale grids for in silico drug discovery open opportunities of particular interest to neglected and emerging diseases. In 2005 and 2006, we have been able to deploy large scale virtual docking within the framework of the WISDOM initiative against malaria and avian influenza requiring about 100 years of CPU on the EGEE, Auvergrid and TWGrid infrastructures. These achievements demonstrated the relevance of large scale grids for the virtual screening by molecular docking. This also allowed evaluating the performances of the grid infrastructures and to identify specific issues raised by large scale deployment.

引用

页码：45 / +

页数：3

共 50 条

[1] A Grid-enabled Virtual Screening Gateway
Jaghoori, Mohammad Mandi
van Altena, Allard J.
Bleijlevens, Boris
Olabarriaga, Silvia D.
2014 6TH INTERNATIONAL WORKSHOP ON SCIENCE GATEWAYS (IWSG), 2014, : 24 - 29
[2] Grid-enabled Virtual Screening Against Malaria
Jacq, N.
Salzemann, J.
Jacq, F.
Legre, Y.
Medernach, E.
Montagnat, J.
Maass, A.
Reichstadt, M.
Schwichtenberg, H.
Sridhar, M.
Kasam, V.
Zimmermann, M.
Hofmann, M.
Breton, V.
JOURNAL OF GRID COMPUTING, 2008, 6 (01) : 29 - 43
[3] Grid-enabled Virtual Screening Against Malaria
N. Jacq
J. Salzemann
F. Jacq
Y. Legré
E. Medernach
J. Montagnat
A. Maaß
M. Reichstadt
H. Schwichtenberg
M. Sridhar
V. Kasam
M. Zimmermann
M. Hofmann
V. Breton
Journal of Grid Computing, 2008, 6 : 29 - 43
[4] Grid-enabled high-throughput in silico screening against influenza a neuraminidase
Lee, Hurng-Chun
Salzemann, Jean
Jacq, Nicolas
Chen, Hsin-Yen
Ho, Li-Yung
Merelli, Ivan
Milanesi, Luciano
Breton, Vincent
Lin, Simon C.
Wu, Ying-Ta
IEEE TRANSACTIONS ON NANOBIOSCIENCE, 2006, 5 (04) : 288 - 295
[5] Grid-enabled collaborative virtual assembly environment
Hu, Yong
Wu, Dianliang
Fan, Xiumin
Zhen, Xijin
ASSEMBLY AUTOMATION, 2010, 30 (04) : 352 - 364
[6] Grid-enabled virtual organization based dynamic firewall
Green, ML
Gallo, SM
Miller, R
FIFTH IEEE/ACM INTERNATIONAL WORKSHOP ON GRID COMPUTING, PROCEEDINGS, 2004, : 208 - 216
[7] A grid-enabled security framework for collaborative virtual organisations
Joita, L
Rana, O
Burnap, P
Pahwa, JS
Gray, A
Miles, J
VIRTUAL ENTERPRISES AND COLLABORATIVE NETWORKS, 2004, 149 : 415 - 422
[8] The virtual instrument: Support for grid-enabled mcell simulations
Casanova, H
Berman, F
Bartol, T
Gokcay, E
Sejnowski, T
Birnbaum, A
Dongarra, J
Miller, M
Ellisman, M
Faerman, M
Obertelli, G
Wolski, R
Pomerantz, S
Stiles, J
INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS, 2004, 18 (01): : 3 - 17
[9] Grid Enabled High Throughput Virtual Screening Against Four Different Targets Implicated in Malaria
Salzemann, Jean
Kasam, Vinod
Jacq, Nicolas
Maass, Astrid
Schwichtenberg, Horst
Breton, Vincent
FROM GENES TO PERSONALIZED HEALTHCARE: GRID SOLUTIONS FOR THE LIFE SCIENCES, 2007, 126 : 47 - +
[10] Grid-enabled High Performance GIS Web Portals
Zhang, Tong
Qiao, Qinghua
Wu, Qing
INTERNATIONAL JOINT CONFERENCE ON COMPUTATIONAL SCIENCES AND OPTIMIZATION, VOL 2, PROCEEDINGS, 2009, : 187 - +

← 1 2 3 4 5 →