Molecular modelling

• Book ID: 104375865
• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 247 KB
• Volume: 6
• Category: Article
• ISSN: 1074-5521
• DOI: 10.1016/s1074-5521(99)80143-4

✦ Synopsis

It is a truism to note that molecular modelling means different things to different people -a broad working definition is that it includes the calculation of two-and three dimensional structures, as well as calculation and display of molecular properties. The internet is useful not only for finding out about the latest developments, but increasingly for actually making models (e.g. Swiss Model, see below). It also means that sophisticated programs can be made available to scientists who do not have extensive training or expensive graphics equipment (e.g. GRASS, http://trantor.bioc.columbia.edu/G RASS/ surfserv_enter.cgi, for visualisation of molecular surfaces).

Three different viewpoints abour what molecular modelling is can be found at the MathMol site (http:// www.