What is it about?
The article about the DesPot method computationally generating new promising molecules with desired properties. The described method estimates molecular exterior (molecular field), interior, interactions with known receptor to predict which characteristics influence positively on the desired property. This knowledge is used to generate new more promising compounds.
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Why is it important?
It helps to find new important materials or drug candidates without wasting a lot of money for blind synthesis and experimental tests
Perspectives
Now we use DesPot method for generation of anti-malarial and anti-tubercular compounds to help people suffering from multi-drug resistant tuberculosis or malaria
Maria GRISHINA
South Ural State University
Read the Original
This page is a summary of: Grid-Based Technologies for In Silico Screening and Drug Design, Current Medicinal Chemistry, September 2018, Bentham Science Publishers,
DOI: 10.2174/0929867325666180309112454.
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