BIOVIAMolecular Modeling
QM/MM
The QM/MM course provides an overview of quantum mechanics, molecular mechanics and their combination in QM/MM calculations within Discovery Studio.
- Level
- Fundamental
- Length
- 8 hours
- Product
- Discovery Studio
- Format
- Instructor-ledOnsite or Virtual Classroom
Topics covered
- When to use QM/MM methods
- Overview of density functional theory and its implementation in DMol3
- Overview of molecular mechanics calculations with CHARMm
- Considerations for the preparation and setup of QM/MM systems
- Performing QM/MM calculations in Discovery Studio
Prerequisites
Related courses
BIOVIADiscovery StudioFundamental
Introduction to Discovery Studio
8 hoursView course
BIOVIADiscovery StudioFundamental
Fragment-Based Drug Design in Discovery Studio
8 hoursView course
BIOVIADiscovery StudioFundamental
Pharmacophore Modeling in Discovery Studio
8 hoursView course
BIOVIADiscovery StudioFundamental
Library Design and Analysis
8 hoursView course
BIOVIADiscovery StudioFundamental
Structure-Based Design Docking
8 hoursView course
BIOVIADiscovery StudioFundamental
Protein Homology Modeling
8 hoursView course
BIOVIADiscovery StudioFundamental
Simulations
8 hoursView course
BIOVIADiscovery StudioFundamental
Protein-Protein Docking
8 hoursView course
Ask about this course
Tell us how many people and when suits. A representative will come back with dates, a plan and a quotation within 1 business day.
Training question
Tell us what you are working on. A representative will come back to you within 1 business day.