GEN

Combining Ligand- and Structure-Based Methods for More Effective Virtual Screening

In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...
Nature

Structure-based discovery of forsythoside A as an effective inhibitor to reduce the neurotoxicity of amyloid β

Abnormal amyloid beta (Aβ) aggregation is a key factor in Alzheimer’s disease (AD) pathology. Despite efforts to develop Aβ aggregation inhibitors, efficient screening strategies remain limited. Here, ...
Nature

Structure-based virtual screening identifies VX-809 as a candidate dual-pathway modulator in fuchs endothelial corneal dystrophy

Fuchs endothelial corneal dystrophy (FECD) is a progressive degenerative disease of the corneal endothelium and remains a leading indication for corneal transplantation worldwide. FECD is ...
News Medical

Machine learning speeds up virtual drug screening by 10-fold

Boosting virtual screening with machine learning allowed for a 10-fold time reduction in the processing of 1.56 billion drug-like molecules. Researchers from the University of Eastern Finland teamed ...
Technology Networks

Predictive Modeling for Compound Prioritization

Explore predictive modeling for compound prioritization, including in silico screening, toxicology models, and lead selection ...