Paper Citing NAMD - Abstract
Ebejer, Jean-Paul; Fulle, Simone; Morris, Garrett M.; Finn, Paul W.
The emerging role of cloud computing in molecular modelling
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 44:177-187, JUL 2013
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.
