High-Throughput Screening Assays

High-Throughput Screening for Extracellular Inhibitors of the FLT3 Receptor Tyrosine Kinase Reveals Chemically Diverse and Druggable Negative Allosteric Modulators.

Inhibiting receptor tyrosine kinases is commonly achieved by two main strategies targeting either the intracellular kinase domain by low molecular weight compounds or the …

Hany, R.

• Mar 18, 2022 • 1 min read

True Accuracy of Fast Scoring Functions to Predict High-Throughput Screening Data from Docking Poses: The Simpler the Better.

Hundreds of fast scoring functions have been developed over the last 20 years to predict binding free energies from three-dimensional structures of protein-ligand complexes.

Tran-Nguyen, V.

• Jun 28, 2021 • 1 min read

Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for Improvement.

Developing realistic data sets for evaluating virtual screening methods is a task that has been tackled by the cheminformatics community for many years.

Tran-Nguyen, V.

• Jun 19, 2020 • 1 min read