Protein–protein recognition plays an essential role in structure and function. Specific non-
covalent interactions stabilize the structure of macromolecular assemblies, exemplified in …

The application of state‐of‐the‐art deep‐learning approaches to the protein modeling
problem has expanded the “high‐accuracy” category in CASP14 to encompass all targets …

Abstract In the protein universe, 30–50% of proteins self-assemble to form symmetrical
complexes consisting of multiple copies of themselves, called homomers. The prevalence of …

An extensive update to a classic text Stochastic geometry and spatial statistics play a
fundamental role in many modern branches of physics, materials sciences, engineering …

In the absence of experimentally determined protein structure many biological questions can
be addressed using computational structural models. However, the utility of protein structural …

For cells to function properly, membrane proteins must be able to diffuse within biological
membranes. The functions of these membrane proteins depend on their position and also …

We have developed an algorithm," MOLE," for the rapid, fully automated location and
characterization of molecular channels, tunnels, and pores. This algorithm has been made …

Coarse-grained (CG) models of biomolecules have recently attracted considerable interest
because they enable the simulation of complex biological systems on length-scales and …

Biomolecular channels play important roles in many biological systems, eg enzymes,
ribosomes and ion channels. This article introduces a web-based interactive MOLE online …

The origins of the hydrophobic effect are widely thought to lie in structural changes of the
water molecules surrounding a nonpolar solute. The spatial distribution functions of the …