Replica exchange with guided annealing for accelerated sampling of disordered protein conformations.
Weihong ZhangJianhan ChenPublished in: J. Comput. Chem. (2014)
Keyphrases
- protein structure
- amino acids
- protein folding
- protein structure prediction
- protein sequences
- amino acid sequences
- secondary structure
- monte carlo
- protein function
- simulated annealing
- load balancing
- drug design
- sampling methods
- random sampling
- information exchange
- fault tolerance
- sampling strategy
- sampling algorithm
- low energy
- contact map
- molecular dynamics
- experimentally determined
- sequence alignment
- parameter space
- sample size
- protein backbone
- structural motifs
- coarse grained
- peer to peer