In quantum mechanochemistry, quantum chemical methods are used to describe molecules
under the influence of an external force. The calculation of geometries, energies, transition …

Around 6% of protein structures deposited in the PDB are entangled, forming knots,
slipknots, lassos, links, and θ-curves. In each of these cases, the protein backbone weaves …

Protein knots, mostly regarded as intriguing oddities, are gradually being recognized as
significant structural motifs. Seven distinctly knotted folds have already been identified. It is …

We prove that proteins with nontrivial topology, containing knots and slipknots, have the
ability to fold to their native states without any additional external forces invoked. Our studies …

Molecular dynamics studies within a coarse-grained, structure-based model were used on
two similar proteins belonging to the transcarbamylase family to probe the effects of the knot …

Protein knots and slipknots, mostly regarded as intriguing oddities, are gradually being
recognized as significant structural motifs. Recent experimental results show that knotting …

In the last decade, a new class of proteins has emerged that contain a topological knot in
their backbone. Although these structures are rare, they nevertheless challenge our …

The advent of solid state nanodevices allows for interrogating the physicochemical
properties of a polyelectrolyte chain by electrophoretically driving it through a nanopore …

A new theoretical survey of proteins' resistance to constant speed stretching is performed for
a set of 17 134 proteins as described by a structure-based model. The proteins selected …

Linking, or multicomponent topological entanglement, is ubiquitous in soft matter systems,
from mixtures of polymers and DNA filaments packed in vivo to interlocked line defects in …