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» Reconfigurable Molecular Dynamics Simulator
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CGF
2010
143views more  CGF 2010»
13 years 11 months ago
Coherent Culling and Shading for Large Molecular Dynamics Visualization
Molecular dynamics simulations are a principal tool for studying molecular systems. Such simulations are used to investigate molecular structure, dynamics, and thermodynamical pro...
Sebastian Grottel, Guido Reina, Carsten Dachsbache...
GCC
2004
Springer
14 years 4 months ago
Distributed Object Group Framework with Dynamic Reconfigurability of Distributed Services
Abstract. In this paper, we constructed the Distributed Object Group Framework(DOGF) which is a reconfigurable architecture supporting dynamically adaptation of distributed service...
Chang-Sun Shin, Young-Jee Chung, Su-Chong Joo
ICASSP
2010
IEEE
13 years 11 months ago
Sparse Bayesian step-filtering for high-throughput analysis of molecular machine dynamics
Nature has evolved many molecular machines such as kinesin, myosin, and the rotary flagellar motor powered by an ion current from the mitochondria. Direct observation of the step-...
Max A. Little, Nick S. Jones
IPPS
2008
IEEE
14 years 5 months ago
Model-guided performance tuning of parameter values: A case study with molecular dynamics visualization
In this paper, we consider the interaction between application programmers and tools that automatically search a space of application-level parameters that are believed to impact ...
Yiinju L. Nelson, Bhupesh Bansal, Mary W. Hall, Ai...
JCC
2006
103views more  JCC 2006»
13 years 11 months ago
Flooding in GROMACS: Accelerated barrier crossings in molecular dynamics
: The major bottleneck of today's atomistic molecular dynamics (MD) simulations is that because of the enormous computational effort involved, only processes at nanoseconds to...
Oliver F. Lange, Lars V. Schäfer, Helmut Grub...