Conformational Sampling of Protein Loop Structures by Self-Guided Langevin Dynamics.
Michael S. LeeMark A. OlsonPublished in: BIOCOMP (2009)
Keyphrases
- experimentally determined
- protein folding
- protein structure
- protein sequences
- amino acids
- protein function
- cellular processes
- random sampling
- structural motifs
- monte carlo
- molecular dynamics
- sampling strategy
- neural network
- protein structure prediction
- chemical compounds
- physical processes
- predicting protein
- drug discovery
- coarse grained
- chemical reactions
- secondary structure