Inactivation of the transcription factor p53, through either direct mutation or aberrations in
one of its many regulatory pathways, is a hallmark of virtually every tumor. In recent years …

The tumour suppressor p53 is the most frequently mutated gene in human cancer, with more
than half of all human tumours carrying mutations in this particular gene. Intense efforts to …

The prosurvival BCL2 family member MCL1 is frequently dysregulated in cancer. To
overcome the significant challenges associated with inhibition of MCL1 protein–protein …

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 …

Design of small-molecule inhibitors (MDM2 inhibitors) to block the MDM2–p53 protein–
protein interaction has been pursued as a new cancer therapeutic strategy. In recent years …

Since Hedin's characterization of trypsin and antitrypsin in 1906,(1) arguably the first
account of a regulatory protein–protein interaction (PPI), contemporary understanding of …

MDM2 is a primary cellular inhibitor of p53. It inhibits p53 function by multiple mechanisms,
each of which, however, is mediated by their direct interaction. It has been proposed that …

Pathological Unfoldomics of Uncontrolled Chaos: Intrinsically Disordered Proteins and Human
Diseases | Chemical Reviews ACS ACS Publications C&EN CAS Find my institution Log In …

Protein–protein interactions (PPIs) intimately govern various biological processes and
disease states and therefore have been identified as attractive therapeutic targets for small …

Alchemical absolute binding free energy (ABFE) calculations have substantial potential in
drug discovery, but are often prohibitively computationally expensive. To unlock their …