Hundreds of protein-ligand interactions have been identified through a collaboration between the CeMM Research Center for Molecular Medicine of the Austrian Academy of Sciences and Pfizer. Georg ...
The ability to alter proteins to refine control over binding affinity and specificity can create tailored therapeutics with reduced side effects, highly sensitive diagnostic tools, efficient ...
Recently, SandboxAQ launched what it claims is the largest publicly available dataset of protein-ligand pairs with annotated experimental binding potency data. According to the company, the ...
GPCRs (G-protein-coupled receptors) represent the largest family of membrane receptors currently targeted by approved drugs. It is estimated that approximately 700 approved drugs target GPCRs ...
determining predictions of six GNNs for different affinity subregions. The color-coded bars compare the mean proportions of protein, ligand and interaction edges among the top 25 edges of each ...
Researchers in the Nanoscience Center at the University of Jyväskylä, Finland, have developed a pioneering computational ...
A new machine learning model, NeCLAS, can determine whether and how a protein and nanoparticle will bind, which could revolutionize drug discovery and design processes. Researchers at the University ...
In biology, the binding of cellular proteins to molecules called ligands produces myriad functions essential for life, ...
Various approaches to such protein redesign have drawbacks. Traditional methods include time-consuming trial and error efforts, and many models in the emerging field ...
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