SPEACH_AF: Sampling protein ensembles and conformational heterogeneity with Alphafold2.
Richard A. SteinHassane S. MchaourabPublished in: PLoS Comput. Biol. (2022)
Keyphrases
- protein folding
- imbalanced data
- experimentally determined
- protein structure
- protein sequences
- amino acids
- random sampling
- ensemble methods
- low energy
- decision trees
- monte carlo
- coarse grained
- protein function
- sample size
- protein structure prediction
- hiv protease
- ensemble learning
- subcellular localization
- sampling algorithm
- contact map
- molecular dynamics
- dead end