DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding.
Hyungro LeeHeng MaMatteo TurilliDebsindhu BhowmikShantenu JhaArvind RamanathanPublished in: CoRR (2019)
Keyphrases
- deep learning
- protein folding
- molecular dynamics
- unsupervised learning
- annealing algorithm
- secondary structure
- unsupervised feature learning
- protein structure prediction
- machine learning
- coarse grained
- weakly supervised
- mental models
- amino acids
- protein sequences
- protein structure
- fine grained
- principal component analysis
- information extraction
- objective function