Generating Molecules Conditional on 3D Protein Pockets with HGAF.
Qinglian ZhuXiaoli LinXiaolong ZhangPublished in: BIBM (2023)
Keyphrases
- molecular structures
- virtual screening
- protein structure
- chemical compounds
- amino acids
- chemical reactions
- three dimensional
- random field model
- protein function
- generation process
- augmented reality
- protein structure prediction
- protein sequences
- subcellular localization
- molecular dynamics
- cellular processes
- multiscale
- mass spectrometry data
- social networks
- dead end