fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation.
Zhe WangHong PanHuiyong SunYu KangHuanxiang LiuDongsheng CaoTingjun HouPublished in: Briefings Bioinform. (2022)
Keyphrases
- protein protein
- virtual screening
- drug design
- predicting protein
- drug discovery
- protein complexes
- protein protein interactions
- subcellular localization
- protein structure prediction
- protein sequences
- protein function
- experimentally determined
- molecular structures
- high throughput
- protein structure
- computational methods
- hiv protease
- simulated annealing
- similarity searching
- secondary structure
- scoring function
- protein interaction
- molecular dynamics
- protein interaction networks
- interaction networks
- sequence analysis
- protein function prediction
- protein interaction data
- protein secondary structure
- early stage
- computational approaches
- functional modules
- coarse grained
- ppi networks
- augmented reality
- three dimensional
- molecular dynamics simulations
- cellular processes
- data mining tools
- computational biology
- biological data
- scientific data
- network analysis
- amino acids
- similarity search
- high speed