Studying Protein Folding on the Grid: Experiences Using CHARMM on NPACI Resources under Legion.
Anand NatrajanAnthony D. FoxMarty A. HumphreyAndrew S. GrimshawNancy Wilkins-DiehrMichael CrowleyCharles L. Brooks IIIPublished in: HPDC (2001)
Keyphrases
- protein folding
- grid environment
- computational grids
- annealing algorithm
- low energy
- secondary structure
- grid technology
- resource allocation
- grid services
- molecular dynamics
- resource management
- grid computing
- coarse grained
- structural motifs
- amino acids
- protein sequences
- grid infrastructure
- protein structure prediction
- graph theory
- probabilistic model
- pairwise