The ideas that proteins might possess specific functions without being uniquely folded into
rigid 3D-structures and that these floppy polypeptides might constitute a noticeable part of …

Appropriate tuning of binding selectivity is a primary objective in the discovery and
optimization of a compound on the path toward developing a drug. The environment in …

Motivation Drug discovery demands rapid quantification of compound–protein interaction
(CPI). However, there is a lack of methods that can predict compound–protein affinity from …

The dominant view of protein structure-function is that an amino acid sequence specifies a
three-dimensional (3-D) structure that is a prerequisite for protein function. In contrast, many …

Understanding the underlying physics of the binding of small-molecule ligands to protein
active sites is a key objective of computational chemistry and biology. It is widely believed …

The four major classes of protease enzymes1-4 (aspartic, serine, cysteine, and metallo)
selectively catalyze the hydrolysis of polypeptide bonds. Their control over protein synthesis …

This article addresses the role of platelet membrane phosphatidylserine (PS) in regulating
the production of thrombin, the central regulatory molecule of blood coagulation. PS is …

A method is presented for the preparation and use of fluorogenic peptide substrates that
allows for the configuration of general substrate libraries to rapidly identify the primary and …

Despite recent progress in antithrombotic therapy, there is still an unmet medical need for
safe and orally available anticoagulants. The coagulation enzyme Factor Xa (FXa) is a …

The emergence of hypervirulent clade 2 Clostridioides difficile is associated with severe
symptoms and accounts for> 20% of global infections. TcdB is a dominant virulence factor of …