Efficient implementation of constant pH molecular dynamics on modern graphics processors.
Evan J. ArthurCharles L. Brooks IIIPublished in: J. Comput. Chem. (2016)
Keyphrases
- efficient implementation
- molecular dynamics
- graphics processors
- graphics processing units
- high performance computing
- molecular dynamics simulations
- scientific data
- parallel algorithm
- protein folding
- parallel computing
- massively parallel
- gpu implementation
- information systems
- data generation
- computer vision
- general purpose
- state space