Parallelizing Irregular Computations for Molecular Docking.
Leonardo Solis-VasquezDiogo Santos-MartinsAndreas F. TillackAndreas KochJérôme EberhardtStefano ForliPublished in: IA3@SC (2020)
Keyphrases
- hiv protease
- irregularly shaped
- three dimensional
- parallel processing
- message passing
- van der waals
- linear algebra
- coarse grained
- case study
- image processing
- information retrieval
- knowledge base
- computer vision
- distributed memory
- sequence analysis
- arbitrarily shaped
- molecular dynamics
- molecular structure
- artificial intelligence
- learning algorithm
- genetic algorithm