Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models.
Lihang LiuDonglong HeXianbin YeShanzhuo ZhangXiaonan ZhangJingbo ZhouJun LiHua ChaiFan WangJingzhou HeLiang ZhengYonghui LiXiaomin FangPublished in: CoRR (2023)
Keyphrases
- protein structure
- protein structure prediction
- drug design
- protein tertiary structure
- prediction accuracy
- contact map
- probabilistic model
- training set
- training process
- protein folding
- prediction model
- predictive model
- amino acids
- low energy
- protein sequences
- structural models
- subcellular localization
- protein secondary structure
- experimentally determined