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Computer aided drug design

Jain, A

Journal of physics. Conference series, 2017-08, Vol.884 (1), p.12072 [Periódico revisado por pares]

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Título:
Computer aided drug design
Autor: Jain, A
Assuntos: CAD ; Chemical synthesis ; Computer aided design ; Cost analysis ; Molecular structure
É parte de: Journal of physics. Conference series, 2017-08, Vol.884 (1), p.12072
Descrição: Computer based method can help in discovery of leads and can potentially eliminate chemical synthesis and screening of many irrelevant compounds, and in this way, it save time as well as cost. Molecular modeling systems are powerful tools for building, visualizing, analyzing and storing models of complex molecular structure that can help to interpretate structure activity relationship. The use of various techniques of molecular mechanics and dynamics and software in Computer aided drug design along with statistics analysis is powerful tool for the medicinal chemistry to synthesis therapeutic and effective drugs with minimum side effect.
Editor: Bristol: IOP Publishing
Idioma: Inglês

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