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Drugs of the Future
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Drugs Fut 2000, 25(5): 489
ISSN 0377-8282
Copyright 2000 Clarivate Analytics
CCC: 0377-8282
DOI: 10.1358/dof.2000.025.05.858676
 
 
Molecular visualization programs on the web
Bohne, A., Lang, E., Von der Lieth, C.-W.
 
 
Modern techniques of drug development make extensive use of computer-aided visualization of molecular properties. During the last years, a wealth of programs for use in chemistry and drug development have become accessible by means of web interfaces. An overview of some often-used facilities for molecular visualization is given. These facilities can be found on the web and can be used without special hardware and software requirements. Since state-of-the-art web browsers cannot display chemical 3D molecular structures using intrinsic functionality, the scope and limitations of the 5 most important ways of adding chemical display functionality are discussed. Examples are given on how to input, generate and visualize 2D and 3D molecular structures of organic molecules. 2D molecular editors enable easy access to structure-oriented data collections and to applications which are able to calculate physicochemical properties. Reliable 3D atomic coordinates of molecules are essential for the success of structure-based, rational drug design projects. Ways to retrieve and visualize 3D structures from large data collections available on the web are demonstrated.


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