Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery.
Hanwen DuJunhao LiYingchun CaiHongxiao ZhangGuixia LiuYun TangWeihua LiPublished in: J. Chem. Inf. Model. (2017)
Keyphrases
- machine learning
- hiv protease
- coarse grained
- knowledge discovery
- fine grained
- protein protein interactions
- website
- sequence analysis
- human immunodeficiency virus
- dynamic model
- motif discovery
- dynamical systems
- linear support vector machines
- drug resistance
- data sets
- dna sequences
- computational power
- high throughput
- low energy
- drug design
- protein protein
- neural network