Assessing Molecular Docking Tools for Relative Biological Activity Prediction: A Case Study of Triazole HIV-1 NNRTIs.
Tomasz FraczekAgata SiwekPiotr PanethPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- drug discovery
- drug design
- hiv protease
- human immunodeficiency virus
- cell biology
- protein structure prediction
- prediction accuracy
- virtual screening
- coarse grained
- end users
- case study
- systems biology
- three dimensional
- molecular level
- neural network
- software tools
- data mining tools
- dna computing
- protein function prediction
- sequence analysis
- living cells
- interaction networks
- prediction model
- high throughput
- human activities
- fine grained