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

By: Doucet, Jean-PierreContributor(s): Weber, JacquesMaterial type: TextTextPublication details: London : Academic, c1996. ISBN: 0122212851Subject(s): Molecular structure -- Computer simulation | Molecular structure -- Data processing | Molecules -- Models -- Computer simulation | Molecules -- Models -- Data processing | Molecules -- StructureDDC classification: 615.1900285
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.

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