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Amber Molecular Dynamics Optimization on Intel Xeon Phi

“The Amber Molecular Dynamics software is a well known and understood application for the structural dynamics of large biological molecules. With modern computer systems, a speedup in the computations can lead to studying events that occur on longer timescales, as well as statistical convergences. By incorporating the Intel Xeon Phi coprocessor into the workflow on a compute server, additional speedups can be obtained.”

Amber – The How, What, and Why on Intel Xeon Phi

In this video from ISC 2015, Ross C. Walker from SDSC presents: Amber – The How, What, and Why on Intel Xeon Phi.

AMBER is a key application in molecular dynamics used to simulate biocatalysis and the interaction between drug candidates and protein receptors. A feature of AMBER is the ability to use Intel Xeon Phi coprocessors to speed up complex molecular simulations and improves research accuracy.”