Computer-aided molecular design : theory and applications / Jean-Pierre Doucet, Jacques Weber.
Material type: TextPublication details: London : Academic, c1996.ISBN:- 0122212851
- 615.1900285 20
Item type | Home library | Call number | Status | Date due | Barcode | Item holds | |
---|---|---|---|---|---|---|---|
Two Week Loan | College Lane Learning Resources Centre Main Shelves | 615.1900285 DOU (Browse shelf(Opens below)) | Available | 4403451514 |
Enhanced descriptions from Syndetics:
Includes bibliographies and index.
1. Computer graphics: an introduction -- 2. Computer graphics: towards realistic images -- 3. Displaying molecular shapes -- 4. Access to experimental geometrical parameters -- 5. Empirical force field methods and molecular mechanics -- 6. Monte Carlo and molecular dynamics simulations -- 7. Exploring the conformational space: distance geometry and model builders -- 8. Molecular surfaces and volumes -- 9. Key features of quantum chemistry methods used in CAMD -- 10. Derivation and visualization of molecular properties -- 11. Molecular similarity -- 12. Drug receptor interactions: receptor mapping and pharmacophore approach -- 13. Modelling proteins.