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Screening of compounds - Virtual

Virtual screening helps to identify new molecules which could block disease causing targets. This method is very useful in large libraries of compounds to be assessed for their binding sites on target molecules like proteins and matched compounds.

 Our team ensures that a large number of candidate molecules (50,000 – 100,000) can be screened for their diversity, to identify new structures within a short period.

Virtual screening employs either ligand based screening or structure based screening which provides the best potential ability of candidate molecule. It also includes a step wise processes like QSAR predicted activity based screening, pharmacophoric feature based screening, docking  based screening followed by filtering using Lipinski rule of five. This whole will discard the unviable molecules at an early stage of identification.

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