| Abstract: | A new instrument, long established as CAD in engineering, is beginning to make its presence felt in chemical research laboratories: Computer-Assisted Molecular Design (CAMD). The combined use of computer graphics and theoretical chemistry is opening up new perspectives in molecular research. Structures and properties of molecules such as spacefilling, charge distribution, or dynamic behavior can be determined and used for comparison. For research on complex systems like biomolecules (protein engineering), this new approach turns out to be indispensable. |
