Molecular Simulation Studies on the Binding Selectivity of Type-I Inhibitors in the Complexes with ROS1 versus ALK.
Yuan-xin TianYonghuan YuYudong ShenHua WanShan ChangTingting ZhangShanhe WanJiajie ZhangPublished in: J. Chem. Inf. Model. (2017)
Keyphrases
- simulation study
- hiv protease
- coarse grained
- protein protein interactions
- protein complexes
- fine grained
- human immunodeficiency virus
- type ii
- sequence analysis
- monte carlo
- ppi networks
- linear support vector machines
- drug resistance
- selectivity estimation
- inverted pendulum
- encoding schemes
- search space
- protein interaction
- biomedical literature
- high precision
- query optimization
- fuzzy logic