Sampling protein conformations and pathways.
Ming LeiMaria I. ZavodszkyLeslie A. KuhnM. F. ThorpePublished in: J. Comput. Chem. (2004)
Keyphrases
- protein structure
- protein folding
- protein structure prediction
- amino acids
- protein sequences
- secondary structure
- protein interaction data
- amino acid sequences
- molecular biology
- graph theory
- random sampling
- drug design
- signaling pathways
- monte carlo
- structural motifs
- low energy
- sampling algorithm
- sample size
- sampling strategy
- computational biology
- predicting protein
- protein backbone
- protein function
- drug discovery
- systems biology
- contact map
- molecular dynamics
- parameter space
- biological entities