Proteins participate in complex sets of interactions that represent the mechanistic foundation
for much of the physiology and function of the cell. These protein–protein interactions are …

Many proteins contain intrinsically disordered regions (IDRs), functional polypeptide
segments that in isolation adopt a highly flexible conformational ensemble instead of a …

FTMap is a computational mapping server that identifies binding hot spots of
macromolecules—ie, regions of the surface with major contributions to the ligand-binding …

Background Proteins are involved in many interactions with other proteins leading to
networks that regulate and control a wide variety of physiological processes. Some of these …

The folded 3D structures of peptides and proteins provide excellent starting points for the
design of synthetic molecules that mimic key epitopes (or surface patches) involved in …

Druggability assessment of a target protein has emerged in recent years as an important
concept in hit-to-lead optimization. A reliable and physically relevant measure of druggability …

Protein–protein interactions encompass large surface areas, but often a handful of key
residues dominate the binding energy landscape. Rationally designed small molecule …

Genomic and proteomic profiling of human tumor samples and tumor-derived cell lines are
essential for the realization of personalized therapy in oncology. Identification of the …

The tremendous challenge of inhibiting therapeutically important protein–protein
interactions has created the opportunity to extend traditional medicinal chemistry to a new …

Since the discovery of the first MDM2 inhibitors, we have gained deeper insights into the
cellular roles of MDM2 and p53. In this review, we focus on MDM2 inhibitors that bind to the …