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SC
2004
ACM
13 years 10 months ago
Analysis and Performance Results of a Molecular Modeling Application on Merrimac
The Merrimac supercomputer uses stream processors and a highradix network to achieve high performance at low cost and low power. The stream architecture matches the capabilities o...
Mattan Erez, Jung Ho Ahn, Ankit Garg, William J. D...
CSC
2010
13 years 23 hour ago
Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics
- We have developed a performance prediction model for non-bonded interaction computations in molecular dynamics simulations, thereby predicting the optimal cell dimension in a lin...
Manaschai Kunaseth, Rajiv K. Kalia, Aiichiro Nakan...
BMCBI
2005
124views more  BMCBI 2005»
13 years 5 months ago
Tools enabling the elucidation of molecular pathways active in human disease: Application to Hepatitis C virus infection
Background: The extraction of biological knowledge from genome-scale data sets requires its analysis in the context of additional biological information. The importance of integra...
David J. Reiss, Iliana Avila-Campillo, Vesteinn Th...
FGCS
2006
135views more  FGCS 2006»
13 years 5 months ago
Scaling applications to massively parallel machines using Projections performance analysis tool
Some of the most challenging applications to parallelize scalably are the ones that present a relatively small amount of computation per iteration. Multiple interacting performanc...
Laxmikant V. Kalé, Gengbin Zheng, Chee Wai ...
JCC
2008
85views more  JCC 2008»
13 years 5 months ago
Minimal molecular surfaces and their applications
Abstract: This article presents a novel concept, the minimal molecular surface (MMS), for the theoretical modeling of biomolecules. The MMS can be viewed as a result of the surface...
P. W. Bates, G. W. Wei, Shan Zhao