Fragment-based drug discovery (FBDD) continues to evolve and make an impact in the
pharmaceutical sciences. We summarize successful fragment-to-lead studies that were …

Protein–protein interactions (PPIs) have important roles in various cellular processes, but
are commonly described as 'undruggable'therapeutic targets due to their large, flat …

We demonstrate an automated microfluidic nuclear magnetic resonance (NMR) system that
quantitatively characterizes protein–ligand interactions without user intervention and with …

It has proved challenging to represent the behavior of polymeric macromolecules as
machine learning features for biomaterial interaction prediction. There are several …

During the past decades, solution nuclear magnetic resonance (NMR) spectroscopy has
demonstrated itself as a promising tool in drug discovery. Especially, fragment-based drug …

The popularity of the Python programming language in chemistry is growing every year.
Python provides versatility, simplicity, and a rich ecosystem of libraries, making it the …

The expression of polysialic acid (polySia) on the neuronal cell adhesion molecule (NCAM)
is called NCAM-polysialylation, which is strongly related to the migration and invasion of …

Nuclear magnetic resonance (NMR) is an effective, commonly used experimental approach
to screen small organic molecules against a protein target. A very popular method consists …

Considerable developments have been observed in fragment-based lead/drug discovery
(FBLD/FBDD) recently, with four drugs approved and many others under investigation …

Macromolecular interactions, such as polymer–protein binding, determine the biological fate
of biomaterials. However, in most macromolecular binding systems, underlying interaction …