Academic Journals Database
Disseminating quality controlled scientific knowledge

VPython Application To The Computer-aided Drug Design Problem

Journal: The Python Papers Monograph
ISSN 1837-7092

Volume: 2;
Date: 2010;
Original page

Quantitative structure-activity relationship (QSAR) is the study of the mathematical relationship between the chemical and geometrical characteristics structure of a lead compound with its biological activity. The structures of the lead compounds and their receptors could be represented with 3D computer models. VPython is a package designed with the ease of making and manipulating such models. Researchers can then modify such drug molecular models for better biological activity in silico before synthesizing the drug. The value of using this strategy in drug discovery is to reduce costs and time in the prediction of drug activity.
Save time & money - Smart Internet Solutions     

Tango Rapperswil
Tango Rapperswil