Structural Biology Software Database
Application Index Record
| Category: Molecular Docking |
| QSite |
| Last Update: 04-17-2001 |
| Description: QSite is a new mixed mode QM/MM program for highly accurate energy calculations of protein-ligand interactions in the active site. The program is specifically designed for proteins and allows a number of different QM/MM boundaries for residues in the active site. QSite uses the power and speed of Jaguar to perform the quantum mechanical part of the calculations and OPLS-AA to perform the molecular mechanical part of the calculations. |
| Homepage: http://www.schrodinger.com/Products/qsite.html |
| Download Page: http://www.schrodinger.com/Sales/OrderForm/demo_request.html |
| Documentation Page: http://www.schrodinger.com/Support/manuals.html |
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