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IBMRD
2008
52views more  IBMRD 2008»
13 years 11 months ago
Massively parallel molecular dynamics simulations of lysozyme unfolding
Ruhong Zhou, Maria Eleftheriou, Chung-Chau Hon, Ro...
IPPS
2008
IEEE
14 years 5 months ago
Impact of multicores on large-scale molecular dynamics simulations
Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsystems. Thes...
Sadaf R. Alam, Pratul K. Agarwal, Scott S. Hampton...
GI
2009
Springer
14 years 3 months ago
Massively-Parallel Simulation of Biochemical Systems
: Understanding biological evolution prompts for a detailed understanding of the realized phenotype. Biochemical and gene regulatory dynamics are a cornerstone for the physiology o...
Jens Ackermann, Paul Baecher, Thorsten Franzel, Mi...
ISCA
2007
IEEE
196views Hardware» more  ISCA 2007»
14 years 5 months ago
Anton, a special-purpose machine for molecular dynamics simulation
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Je...
PPOPP
2006
ACM
14 years 5 months ago
Performance characterization of molecular dynamics techniques for biomolecular simulations
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
Sadaf R. Alam, Jeffrey S. Vetter, Pratul K. Agarwa...