Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein-Ligand Interactions.
Xiaohe XuWeijie HanXiangzhen NingChengdong ZangChengcheng XuChen ZengChengtao PuYanmin ZhangYadong ChenHaichun LiuPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- protein protein
- protein protein interactions
- van der waals
- computational methods
- interaction networks
- protein interaction
- protein sequences
- drug design
- virtual screening
- protein structure
- predicting protein
- binding sites
- high throughput
- protein function
- drug discovery
- cellular processes
- digital libraries
- biological knowledge
- protein complexes
- gene ontology
- protein interaction data
- molecular biology
- functional modules
- data mining
- biological data
- amino acids
- gene expression data
- biological networks
- network analysis
- multimedia