Macromolecular crowding affects the activity of proteins and functional macromolecular
complexes in all cells, including bacteria. Crowding, together with physicochemical …

Ensemble docking corresponds to the generation of an" ensemble" of drug target
conformations in computational structure-based drug discovery, often obtained by using …

Protein–protein association is fundamental to many life processes. However, a microscopic
model describing the structures and kinetics during association and dissociation is lacking …

Binding of one protein to another is involved in nearly all biological functions, yet the
principles governing the interaction of proteins are not fully understood. To analyze the …

The non-covalent assembly of proteins that fold separately is central to many biological
processes, and differs from the permanent macromolecular assembly of protein subunits in …

Despite the biological importance of protein–protein complexes, determining their structures
and association mechanisms remains an outstanding challenge. Here, we report the results …

The structure of a protein complex together with information about its affinity and other
thermodynamic characteristics provide a “frozen” view of the complex. This picture ignores …

Protein–protein interactions (PPIs) are essential for many cellular processes. However,
transient PPIs are difficult to measure at high throughput or in complex biological fluids using …

Single-chain antibody mutants have been evolved in vitro with antigen-binding equilibrium
dissociation constant K d= 48 fM and slower dissociation kinetics (half-time> 5 days) than …

A new version of the DelPhi program, which provides numerical solutions to the nonlinear
Poisson− Boltzmann (PB) equation, is reported. The program can divide space into multiple …