Parallel Flexible Molecular Docking in Computational Chemistry on High Performance Computing Clusters.
Rafael DolezalTeodorico C. RamalhoTanos C. C. FrancaKamil KucaPublished in: ICCCI (2) (2015)
Keyphrases
- high performance computing
- molecular dynamics
- massively parallel
- parallel computing
- computational chemistry
- computer architecture
- message passing interface
- high performance data mining
- scientific computing
- computational science
- computing resources
- parallel programming
- computing systems
- computing environments
- grid computing
- energy efficiency
- shared memory
- fault tolerance
- national laboratory
- graphics processing units
- distributed memory
- fine grained
- parallel execution
- fault tolerant
- parallel machines
- heterogeneous computing
- data management