: The major bottleneck of today's atomistic molecular dynamics (MD) simulations is that because of the enormous computational effort involved, only processes at nanoseconds to...
Using FPGAs to accelerate High Performance Computing (HPC) applications is attractive, but has a huge associated cost: the time spent, not for developing efficient FPGA code but fo...
Graph structure can model the relationships among a set of objects. Mining quasi-clique patterns from large dense graph data makes sense with respect to both statistic and applica...
Background: The increasing number of protein sequences and 3D structure obtained from genomic initiatives is leading many of us to focus on proteomics, and to dedicate our experim...
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Je...