1 Biological processes occurring inside cell involve multiple scales of time and length; many popular theoretical and computational multi-scale techniques utilize biomolecular simu...
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 presents a molecular mechanics study using a molecular dynamics software (NAMD) coupled to virtual reality (VR) techniques for intuitive bio-nanorobotic prototyping. Us...
Mustapha Hamdi, Antoine Ferreira, Gaurav Sharma, C...
The objective of Molecular Dynamics (MD) simulations is to determine the shape of a molecule in a given biomolecular environment. These simulations are very demanding computationa...
Abstract We discuss data production rates and their impact on the performance of scientific applications using parallel computers. On one hand, too high rates of data production c...
Terry W. Clark, L. Ridgway Scott, Stanislaw Wloked...