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 …

As an essential part of many biological processes, protein–protein interactions (PPIs) offer
exciting and promising opportunities for drug discovery by extension of the druggable target …

The rise of open science and the absence of a global dedicated data repository for
molecular dynamics (MD) simulations has led to the accumulation of MD files in generalist …

Protein-ligand recognition plays key roles in many biological processes. One of the most
fascinating questions about protein-ligand recognition is to understand its underlying …

The therapeutically relevant hypoxia inducible factor HIF‐1α–p300 protein–protein
interaction can be orthosterically inhibited with α‐helix mimetics based on an oligoamide …

To test the ability of molecular simulations to accurately predict the solution-state
conformational properties of peptidomimetics, we examined a test set of 18 cyclic RGD …

The p53‐MDM2 complex is both a major target for cancer drug development and a valuable
model system for computational predictions of protein‐ligand binding. To investigate the …

Total synthesis of cystobactamid 920-1 and its epimer has allowed an unambiguous
assignment of the relative and absolute configuration of the natural product. A careful …

Peptide mimics that display amino acid side-chains on semi-rigid scaffolds (not peptide
polyamides) can be referred to as minimalist mimics. Accessible conformations of these …

MDM2 is a negative regulator of p53 activity and an important target for cancer therapeutics.
The N-terminal lid region of MDM2 modulates interactions with p53 via competition for its …