Atomic force microscopy of single molecules, steered molecular dynamics and the theory of
stochastic processes have established a new field that investigates mechanical functions of …

Proteins tendency to bind to one another in a highly specific manner forming stable
complexes is fundamental to all biological processes. A better understanding of complex …

Calculations of ligand binding free energies and kinetic rates are important for drug design.
However, such tasks have proven challenging in computational chemistry and biophysics …

Molecular recognition and mechanical properties of proteins govern molecular processes in
the cell that can cause disease and can be targeted for drug design. Single molecule …

The self-labeling protein tags (SLPs) HaloTag7, SNAP-tag, and CLIP-tag allow the covalent
labeling of fusion proteins with synthetic molecules for applications in bioimaging and …

Pancreatic adenocarcinoma is the most lethal of the solid tumors and the fourth-leading
cause of cancer-related death in North America. Matrix metalloproteinases (MMPs) have …

A protein design strategy was developed to specifically enhance the rate of association (k
on) between a pair of proteins without affecting the rate of dissociation (k off). The method is …

A number of studies have addressed the question of which are the critical residues at protein‐
binding sites. These studies examined either a single or a few protein–protein interfaces …

In enzymes, the active site is the location where incoming substrates are chemically
converted to products. In some enzymes, this site is deeply buried within the core of the …

Many functionally essential ionizable groups are buried in the hydrophobic interior of
proteins. A systematic study of Lys, Asp, and Glu residues at 25 internal positions in …