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

页码：311 / 315

页数：5

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