Drug discovery has accelerated with the advent of high performance computing and new algorithms. “A structural bioinformatics algorithm, eFindSuite, can be used to demonstrate how moving the code to a highly parallel implementation can speed up the computation, by using both the Intel Xeon processor and the Intel Xeon Phi coprocessor. eFindSuite is implemented in both Fortran 77 and C++.”
“When Professor Ross Walker explains what he does for a living, he says he’s on the cutting edge of drug discovery research using supercomputers. Today, he and his team build supercomputer molecular biology software thanks in part to a partnership with Intel’s Software Academic Program. The program provides tools and resources to help Walker’s molecular dynamics lab develop highly effective supercomputer simulations.”
The ISC’15 conference will be held July 12-16 in Frankfurt, Germany.
In this special feature from Scientific Computing World, Sean Ekins from Collaborative Drug Discovery explains to Robert Roe how science apps can be used for cheminformatics workflows. Delegates attending the SLAS2014 Conference in San Diego California from 18 to 22 January were able to download a conference app – available free from the iTunes store […]