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Computer-aided molecular design : theory and applications / Jean-Pierre Doucet, Jacques Weber.

By: Contributor(s): Material type: TextTextPublication details: London : Academic, c1996.ISBN:
  • 0122212851
Subject(s): DDC classification:
  • 615.1900285 20
Contents:
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.
Holdings
Item type Home library Call number Status Date due Barcode Item holds
Two Week Loan Two Week Loan College Lane Learning Resources Centre Main Shelves 615.1900285 DOU (Browse shelf(Opens below)) Available 4403451514
Total holds: 0

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.