Published Online: 15 JUL 2006
Copyright © 2002 by Wiley-VCH Verlag GmbH & Co. KGaA
Ullmann's Encyclopedia of Industrial Chemistry
How to Cite
Boyd, D. B. 2006. Molecular Modeling. Ullmann's Encyclopedia of Industrial Chemistry. .
- Published Online: 15 JUL 2006
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The article contains sections titled:
|2.||Purpose of Modeling|
|4.||Methodologies of Molecular Modeling|
|4.4.||Quantum Mechanical Modeling|
|4.5.||Force Field Modeling|
|4.8.||Drug Design Modeling|
Molecular modeling is used to understand the characteristics of molecules and to design new molecules in industry and elsewhere. The computer-based techniques of molecular modeling include molecular mechanics, molecular graphics, and many other methodologies of computational chemistry. Most large research-based companies involved in molecular science, particularly pharmaceutical companies, use molecular modeling daily.