Molecular docking, 3D QSAR and dynamics simulation studies of imidazo-pyrrolopyridines as janus kinase 1 (JAK 1) inhibitors.
Ramesh ItteboinaSrilata BalluSree Kanth SivanVijjulatha MangaPublished in: Comput. Biol. Chem. (2016)
Keyphrases
- simulation study
- hiv protease
- drug design
- drug discovery
- coarse grained
- protein protein interactions
- monte carlo
- fine grained
- living cells
- biological data
- human immunodeficiency virus
- dynamical systems
- drug resistance
- dynamic model
- machine learning
- three dimensional
- sequence alignment
- sequence analysis
- inverted pendulum
- linear support vector machines
- dna computing