The emerging role of cloud computing in molecular modelling
The emerging role of cloud computing in molecular modelling
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DOI：
10.1016/j.jmgm.2013.06.002
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发表时间：
2013-07-01
影响因子：
2.9
通讯作者：
Finn, Paul W.
中科院分区：
文献类型：
--
作者：
Ebejer, Jean-Paul;Fulle, Simone;Finn, Paul W.
人们越来越认识到云计算对于大规模和数据密集型应用的重要性。云计算的显着特点及其与其他分布式计算范式的关系进行了描述，是该方法的优点和缺点。我们回顾了迄今为止使用云计算的分子建模项目和分子建模应用程序的前端的可用性。虽然使用云计算技术的分子建模仍处于起步阶段，我们展示了它的潜力，提出了几个案例研究。随着更多的应用程序可供使用，成本继续下降，预计云计算将迅速增长;云计算不仅可以在提供按需计算能力方面作出重大贡献，而且还可以刺激创新，开发新的方法，以更有效的方式利用这种能力。(C)2013 Elsevier Inc. All rights reserved.
There is a growing recognition of the importance of cloud computing for large-scale and data-intensive applications. The distinguishing features of cloud computing and their relationship to other distributed computing paradigms are described, as are the strengths and weaknesses of the approach. We review the use made to date of cloud computing for molecular modelling projects and the availability of front ends for molecular modelling applications. Although the use of cloud computing technologies for molecular modelling is still in its infancy, we demonstrate its potential by presenting several case studies. Rapid growth can be expected as more applications become available and costs continue to fall; cloud computing can make a major contribution not just in terms of the availability of on-demand computing power, but could also spur innovation in the development of novel approaches that utilize that capacity in more effective ways. (C) 2013 Elsevier Inc. All rights reserved.