Computational challenges for modeling and simulating biomacromolecular assemblies

被引：1
|
作者：
Uberbacher, Ed [1 ]
LoCascio, Philip [1 ]
Passovets, Sergey [1 ]
Ghattyvenkatakrishna, Pavan [1 ]
Agarwal, Pratul [1 ]
Arnold, Nikita [1 ]
Bordner, Andrew [1 ]
Gorin, Andrey [1 ]
机构：
[1] Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA
来源：
SCIDAC 2006: SCIENTIFIC DISCOVERY THROUGH ADVANCED COMPUTING | 2006年 / 46卷
关键词：
D O I：
10.1088/1742-6596/46/1/043
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
Understanding the structure and dynamics of large biomolecular assemblies requires the development of new computational methods for (i) accurate structure prediction, (ii) molecular docking and (iii) long time-frame molecular simulation, and implementation on massively parallel computing infrastructure. This paper reviews our progress in these areas and applications on important molecular systems.
引用
收藏
页码：311 / 315
页数：5
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