CORDIS Project
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This project focuses on improving drug discovery methods by utilizing advanced computational power to enhance high-throughput screening techniques. It aims to develop new docking strategies and scoring functions to identify effective ligands for proteins involved in disease-related pathways, particularly for cancer tre…
The activity of many proteins, strongly changes when small ligands dock into well defined cavities of the protein receptor.
For proteins involved in disease-related metabolic pathways novel artificial ligands may act as drugs.
In the drug discovery process, high-throughput in-silico screening(IS-HTS) methods are increasingly used to identify lead compounds, i.e. ligands that bind to a target protein with high affinity.
Existing methods have significant shortcomings, because the time spent on eac…
KARLSRUHER INSTITUT FUER TECHNOLOGIE
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