Conformational dynamics of cathepsin D and binding to a small-molecule BACE1 inhibitor.
Christopher R. EllisCheng-Chieh TsaiFang-Yu LinJana ShenPublished in: J. Comput. Chem. (2017)
Keyphrases
- hiv protease
- coarse grained
- fine grained
- protein protein interactions
- dynamical systems
- dynamic model
- artificial intelligence
- linear support vector machines
- case study
- small size
- small number
- human immunodeficiency virus
- data sets
- encoding schemes
- support vector
- information systems
- sequence analysis
- search engine
- information retrieval
- data mining
- databases