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CIBCB
2006
IEEE
14 years 2 months ago
A Stochastic model to estimate the time taken for Protein-Ligand Docking
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...
BMCBI
2007
103views more  BMCBI 2007»
13 years 8 months ago
Dynamic simulation of regulatory networks using SQUAD
Background: The ambition of most molecular biologists is the understanding of the intricate network of molecular interactions that control biological systems. As scientists uncove...
Alessandro Di Cara, Abhishek Garg, Giovanni De Mic...
GI
2009
Springer
14 years 16 days 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...
IPPS
2007
IEEE
14 years 2 months ago
On the Path to Enable Multi-scale Biomolecular Simulations on PetaFLOPS Supercomputer with Multi-core Processors
1 Biological processes occurring inside cell involve multiple scales of time and length; many popular theoretical and computational multi-scale techniques utilize biomolecular simu...
Sadaf R. Alam, Pratul K. Agarwal
HPDC
2000
IEEE
14 years 10 days ago
CAVEStudy: An Infrastructure for Computational Steering in Virtual Reality Environments
We present the CAVEStudy system that enables scientists to interactively steer a simulation from a virtual reality (VR) environment. No modification to the source code is necessa...
Luc Renambot, Henri E. Bal, Desmond Germans, Hans ...