期刊论文、会议论文

Wan, Jian

英文

GCC 2006: FIFTH INTERNATIONAL CONFERENCE ON GRID AND COOPERATIVE COMPUTING WORKSHOPS, PROCEEDINGS

2006

371-374

第五届网格与协同计算国际会议(The Fifth International Conference on Grid and Cooperative Computing GCC 2006)

第五届栅格与合作计算机国际会议论文集

2006-10-21

长沙

[Ren, Yanliang;Zhang, Qingye;Wan, Jian;Huang, Xiangcheng;Xie, Peng;Yang, Guangfu] Cent China Normal Univ, Coll Chem, Minist Educ, CCNU,Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.

北京大学

Xiao, N Buyya, R Lium, YH Yang, GG

10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA

IEEE COMPUTER SOC

0-7695-2695-0

10.1109/GCCW.2006.55

Natural Science Foundation of China [20203009]; Natural Science Foundation of Hubei Province [2005ABB012, 2004ABC002]; Ministry of Science and Technology of China [2004CCA00100, CNGI-04-15-7A]

本校为第一且通讯机构

Grid-based virtual screening of new potential potent inhibitors has been able to be performed on Center China Normal University Grid (CCNUGrid), by joint of using workflow techniques and Dock 5.0 parallel program packages. The present grid middleware is designed by using Web services technologies and standards, which provides supports for authorization, workflow, security, quality of service aspects. In this work, one of the applications, the structure-based rational quest for potential novel inhibitors of human HMG-CoA reductase by virtual screening, is described. It includes a set of complet...