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Computer‐Assisted Molecular Design (CAMD)—An Overview
Author(s) -
Frühbeis Horst,
Klein Robert,
Wallmeier Holger
Publication year - 1987
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198704031
Subject(s) - computer graphics , computer science , graphics , molecular graphics , biomolecule , human–computer interaction , nanotechnology , computer graphics (images) , materials science
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.