GIaNt: Protein-Ligand Binding Affinity Prediction via Geometry-Aware Interactive Graph Neural Network.
Shuangli LiJingbo ZhouTong XuLiang HuangFan WangHaoyi XiongWeili HuangDejing DouHui XiongPublished in: IEEE Trans. Knowl. Data Eng. (2024)
Keyphrases
- drug design
- neural network
- protein structure prediction
- subcellular localization
- protein function prediction
- prediction model
- protein interaction
- connected components
- graph theory
- protein protein interactions
- protein protein
- mhc class ii
- drug discovery
- prediction accuracy
- protein secondary structure
- predicting protein
- hiv protease
- contact map
- protein structure
- virtual screening
- contact maps
- three dimensional
- artificial neural networks
- back propagation
- high throughput
- major histocompatibility complex
- amino acids
- weighted graph
- computer graphics
- binding peptides
- experimentally determined
- dna binding
- protein secondary structure prediction
- topological information
- directed graph
- protein interaction data
- elman network
- neural network model
- protein sequences
- random walk
- pairwise
- protein tertiary structure
- orthogonal basis
- gene expression
- physicochemical properties
- gene prediction
- multi layer perceptron
- graph structure
- computational methods