HotLig: A Molecular Surface-Directed Approach to Scoring Protein-Ligand Interactions.
Sheng-Hung WangYing-Ta WuSheng-Chu KuoJohn YuPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- protein protein
- protein protein interactions
- interaction networks
- virtual screening
- van der waals
- drug design
- computational methods
- protein sequences
- drug discovery
- protein structure
- high throughput
- predicting protein
- protein function
- binding sites
- protein complexes
- molecular biology
- protein interaction
- protein structure prediction
- three dimensional
- surface reconstruction
- mass spectrometry
- amino acid sequences
- systems biology
- molecular structures
- d objects
- gene regulatory networks
- network topology
- computational approaches
- gene ontology
- protein function prediction
- range data
- high precision
- molecular interactions
- biological processes
- transcription factors
- similarity searching
- scoring function
- amino acids
- similarity search