Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation - A systematic computational approach to discover novel cancer therapeutics.
Bharath Kumar ChagaletiShantha Kumar B.Anjana G. V.Rajakrishnan RajagopalAhmed AlfarhanJesu ArockiarajMuthu Kumaradoss KathiravanS. Karthick Raja NamasivayamPublished in: Comput. Biol. Chem. (2024)
Keyphrases
- dynamic model
- breast cancer
- agent based models
- molecular dynamics simulations
- data mining
- simulation model
- multi agent simulation
- molecular dynamics
- mathematical model
- early detection
- simulation models
- dynamic characteristics
- three dimensional
- computational tools
- data sets
- sequence alignment
- simulation environment
- normal tissue
- agent based simulations
- hiv protease
- agent based social simulation