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FPL
2007
Springer
150views Hardware» more  FPL 2007»
14 years 2 months ago
Discrete Event Simulation of Molecular Dynamics with Configurable Logic
: Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretized ...
Josh Model, Martin C. Herbordt
DAGSTUHL
2010
14 years 14 days ago
Saliency Guided Summarization of Molecular Dynamics Simulations
We present a novel method to measure saliency in molecular dynamics simulation data. This saliency measure is based on a multiscale center-surround mechanism, which is fast and ef...
Robert Patro, Cheuk Yiu Ip, Amitabh Varshney
ASAP
2009
IEEE
142views Hardware» more  ASAP 2009»
14 years 8 months ago
Parallel Discrete Event Simulation of Molecular Dynamics Through Event-Based Decomposition
—Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an alternative to time-step driven molecular dynamics (MD). DMD uses simplified discretize...
Martin C. Herbordt, Md. Ashfaquzzaman Khan, Tony D...
FPL
2005
Springer
144views Hardware» more  FPL 2005»
14 years 4 months ago
Accelerating Molecular Dynamics Simulations With Configurable Circuits
Molecular Dynamics (MD) is of central importance to computational chemistry. Here we show that MD can be implemented efficiently on a COTS FPGA board, and that speedups from ¿½...
Yongfeng Gu, Tom Van Court, Martin C. Herbordt
BMCBI
2005
92views more  BMCBI 2005»
13 years 11 months ago
A restraint molecular dynamics and simulated annealing approach for protein homology modeling utilizing mean angles
Background: We have developed the program PERMOL for semi-automated homology modeling of proteins. It is based on restrained molecular dynamics using a simulated annealing protoco...
Andreas Möglich, Daniel Weinfurtner, Till Mau...