Protein kinases are a family of signaling proteins, crucial for maintaining cellular
homeostasis. When dysregulated, kinases drive the pathogenesis of several diseases, and …

Computational pipelines have become a crucial part of modern drug discovery campaigns.
Setting up and maintaining such pipelines, however, can be challenging and time …

In recent years, machine learning has transformed many aspects of the drug discovery
process, including small molecule design, for which the prediction of bioactivity is an integral …

In recent years machine learning has transformed many aspects of the drug discovery
process including small molecule design for which the prediction of the bioactivity is an …

Cancer is one of the major public health issues, causing several million losses every year.
Although anti-cancer drugs have been developed and are globally administered, mild to …

Kinases are established drug targets to combat cancer and inflammatory diseases. Despite
decades of kinase research, challenges still remain, such as the under-exploration of a large …