APObind: A Dataset of Ligand Unbound Protein Conformations for Machine Learning Applications in De Novo Drug Design.
Rishal AggarwalAkash GuptaU. Deva PriyakumarPublished in: CoRR (2021)
Keyphrases
- drug design
- protein structure prediction
- machine learning
- computational biology
- protein structure
- protein sequences
- amino acids
- protein folding
- graph theory
- essential proteins
- tandem mass spectra
- data mining
- information extraction
- protein protein interactions
- molecular biology
- quantitative structure activity
- coarse grained
- protein protein
- protein function
- amino acid sequences
- machine learning methods
- natural language processing
- secondary structure
- drug discovery
- social networks
- knowledge discovery
- feature selection
- pairwise
- mass spectra
- mass spectrometry
- sequence alignment
- tandem mass spectrometry
- text mining