Studying protein folding on the Grid: experiences using CHARMM on NPACI resources under Legion.
Anand NatrajanMichael CrowleyNancy Wilkins-DiehrMarty A. HumphreyAnthony D. FoxAndrew S. GrimshawCharles L. Brooks IIIPublished in: Concurr. Comput. Pract. Exp. (2004)
Keyphrases
- protein folding
- computational grids
- grid environment
- annealing algorithm
- low energy
- amino acids
- secondary structure
- resource allocation
- building blocks
- grid technology
- grid computing
- protein structure prediction
- co occurrence
- molecular dynamics
- deterministic annealing
- grid services
- resource management
- protein sequences
- global optimization
- coarse grained
- protein structure
- computing environments
- structural motifs
- resource providers
- semi supervised