Mitogen- and Stress-Activated Kinase 1 (MSK1) is a nuclear kinase, taking part in the activation pathway of the pro-inflammatory transcription factor NF-kB and is demonstrating a …
Identifying local similarities in binding sites from distant proteins is a major hurdle to rational drug design.
Developing realistic data sets for evaluating virtual screening methods is a task that has been tackled by the cheminformatics community for many years.
NAD, a key co-enzyme required for cell metabolism, is synthesized via two pathways in most organisms.
Comparative evaluation of virtual screening methods requires a rigorous benchmarking procedure on diverse, realistic, and unbiased data sets.
The high demand of the pharmaceutical industry for new modalities to address the diversification of biological targets with large surfaces of interaction led us to investigate the …
Protein-protein interactions (PPIs) offer the unique opportunity to tailor ligands aimed at specifically stabilizing or disrupting the corresponding interfaces and providing a …
Currently, there is no established technique that allows the function of a compound produced by nature to be predicted by looking at its 2-dimensional chemical structure.
Over the past decade, the ever-growing structural information on G-protein coupled receptors (GPCRs) has revealed the three-dimensional (3D) characteristics of a receptor structure …
Docking is commonly used in drug discovery to predict how ligand binds to protein target.