BIOVIAMolecular Modeling
Simulations
This course focuses on working through the CHARMm, DelPhi, and CDOCKER Discovery Studio interfaces.
- Level
- Fundamental
- Length
- 8 hours
- Product
- Discovery Studio
- Delivery
- Instructor-led
Topics covered
- Energy calculations
- Manual and automatic atom potential typing
- Energy minimization
- Molecular dynamics
- Constraints
- Solvation models
- Trajectory analysis
- Force field-based docking
- Electrostatic calculations
Prerequisites
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