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March 25, 2009

Open-Source Software Speeds up Molecular Simulations

The simulation of molecular motion is a critical element in the study of diseases such as Alzheimer's and Parkinson's and in the development of vaccines. In the past, this simulation required large amounts of computing power, restricting researchers to using supercomputers or to breaking up the computations for processing on less powerful desktop computers. Now, thanks to an open-source software package developed at Stanford, molecular motion simulation can be done on desktop computers at higher speeds than ever thought possible.

"Simulations that used to take three years can now be completed in a few days", said Vijay Pande, an associate professor of chemistry at Stanford and principal investigator of the Open Molecular Mechanics (OpenMM) project. OpenMM is able to perform accelerated simulations by taking advantage of inexpensive graphics processors (GPUs). An added bonus is that the software works with any brand of GPU, meaning that the simulations can be done on most laptop and desktop computers.

Posted by BlogAuthor1 at March 25, 2009 3:27 PM
category: Design & Engineering | Intellectual Property Law


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