Insights into the Structural Basis of N2 and O6 Substituted Guanine Derivatives as Cyclin-Dependent Kinase 2 (CDK2) Inhibitors: Prediction of the Binding Modes and Potency of the inhibitors by Docking and ONIOM Calculations.
Jans H. Alzate-MoralesJulio CaballeroAriela Vergara JaqueFernando D. González NiloPublished in: J. Chem. Inf. Model. (2009)
Keyphrases
- hiv protease
- coarse grained
- human immunodeficiency virus
- protein protein interactions
- fine grained
- sequence analysis
- linear support vector machines
- drug resistance
- wet lab
- encoding schemes
- biological data
- structural information
- knowledge discovery
- logistic regression
- directional derivatives
- statistical significance
- databases
- higher order
- image sequences