TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction.
Wei LuQifeng WuJixian ZhangJiahua RaoChengtao LiShuangjia ZhengPublished in: NeurIPS (2022)
Keyphrases
- neural network
- contact map
- drug design
- contact maps
- protein structure prediction
- prediction model
- pattern recognition
- subcellular localization
- protein structure
- virtual screening
- drug discovery
- chemical compounds
- genetic algorithm
- gene prediction
- molecular structures
- predicting protein
- back propagation
- prediction accuracy
- protein interaction
- neural network ensemble
- structural features
- multilayer perceptron
- network structure
- neural networks and support vector machines
- physicochemical properties
- physico chemical
- artificial neural networks to predict