Novel inhibitor discovery for influenza virus neuraminidase
A multi-target screening approach connects molecular prediction with in vitro antiviral investigation.
Read the study: Novel inhibitor discovery for influenza virus neuraminidaseFrom research questions to testable possibilities.
Three perspectives on early discovery: antiviral screening, pipeline benchmarking, and selective inhibitor design.
Discovery case studies
Benchmarking a novel in silico pipeline for TYK2 inhibitor discovery
An ultra-large library and a known-active comparison put a screening pipeline to the test.
Read the study: Benchmarking a novel in silico pipeline for TYK2 inhibitor discovery
Selective TYK2 inhibitor discovery via virtual screening and ADMET analysis
Investigating target selectivity, chemical diversity and predicted pharmacokinetic properties.
Read the study: Selective TYK2 inhibitor discovery via virtual screening and ADMET analysisA connected TYK2 workflow.
Biocentric’s published workflow connects a large chemical library to a smaller set of compounds for investigation.
- Initial filtration and diversity-driven selection.
- Binding affinity prediction and ADMET assessment.
- Selectivity and off-target activity prediction.
- Molecular dynamics and generation of related molecules.
- Iterative validation and wet-lab investigation.
The original diagram reports project-specific screening counts. These are not a general performance guarantee; see the studies for available context.
A better next step for your research.
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