Abstract: In biomolecular simulations intensive computations are spent in nonbonded interactions kernels, i.e., electrostatic interactions. Therefore this part can be considered as...
— Biomolecular simulations play a key role in the study of complex biological processes at microscopic levels in which macromolecules such as proteins are involved. The simulatio...
Yudong Sun, Steve McKeever, Kia Balali-Mood, Mark ...
Computationally complex and data intensive atomic scale biomolecular simulation is enabled via Processing in Network Storage (PINS): a novel distributed system framework to overco...
Paul Brenner, Justin M. Wozniak, Douglas Thain, Aa...