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Molecular dynamics applications are extremely amenable to the massively parallel architecture of NVIDIA's GPUs. In the charts below, we highlight work done on VMD and also molecular dynamics software packages such as NAMD and HOOMD.
With the introduction of NVIDIA Tesla Bio Workbench, it provides bio-physicists and computational chemists the tools to push the boundaries of bio-chemical research, optimizing the scientific workflow and accelerating the pace of research. Learn more.
|Generalized Born simulation in AMBER
San Diego Supercomputing Center
|Scaling of NAMD on a GPU-cluster
Theoretical and Computational Bio-physics Group, UIUC
Technical Reports on Molecular Dynamics on CUDA
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