1 Multi-paradigm, multi-threaded and multi-core computing devices available today provide several orders of magnitude performance improvement over mainstream microprocessors. These...
Jeremy S. Meredith, Sadaf R. Alam, Jeffrey S. Vett...
This paper aims to describe the implementation of TAKAKAW, an efficient parallel application for the simulation of molecular dynamics designed to handle large proteins in biology....
Molecular dynamics simulations are a common and often repeated task in molecular biology. The need for speeding up this treatment comes from the requirement for large system simula...
Weiguo Liu, Bertil Schmidt, Gerrit Voss, Wolfgang ...