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CPHYSICS
2006
124views more  CPHYSICS 2006»
13 years 7 months ago
Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks
State-of-the-art molecular dynamics (MD) simulations generate massive datasets involving billion-vertex chemical bond networks, which makes data mining based on graph algorithms s...
Cheng Zhang, Bhupesh Bansal, Paulo S. Branicio, Ra...
IPPS
2007
IEEE
14 years 1 months ago
Modeling of NAMD's Network Input/Output on Large PC Clusters
This study examined the interplay among processor speed, cluster interconnect and file I/O, using parallel applications to quantify interactions. We focused on a common case wher...
Nancy Tran, Daniel A. Reed
BMCBI
2006
145views more  BMCBI 2006»
13 years 7 months ago
GEM System: automatic prototyping of cell-wide metabolic pathway models from genomes
Background: Successful realization of a "systems biology" approach to analyzing cells is a grand challenge for our understanding of life. However, current modeling appro...
Kazuharu Arakawa, Yohei Yamada, Kosaku Shinoda, Yo...
BMCBI
2006
239views more  BMCBI 2006»
13 years 7 months ago
Applying dynamic Bayesian networks to perturbed gene expression data
Background: A central goal of molecular biology is to understand the regulatory mechanisms of gene transcription and protein synthesis. Because of their solid basis in statistics,...
Norbert Dojer, Anna Gambin, Andrzej Mizera, Bartek...
TCBB
2008
108views more  TCBB 2008»
13 years 6 months ago
Statistical Characterization of Protein Ensembles
When accounting for structural fluctuations or measurement errors, a single rigid structure may not be sufficient to represent a protein. One approach to solve this problem is to r...
Diego Rother, Guillermo Sapiro, Vijay Pande