From system modeling to system analysis: The impact of resolution level and resolution distribution in the computer-aided investigation of biomolecules
The ever increasing computer power, together with the improved accuracy of atomistic force
fields, enables researchers to investigate biological systems at the molecular level with …
fields, enables researchers to investigate biological systems at the molecular level with …
How to fold intricately: using theory and experiments to unravel the properties of knotted proteins
Highlights•Knotted proteins span diverse biological functions and cover∼ 1% of all PDB
entries.•Reaching their knotted native states requires a concerted series of folding …
entries.•Reaching their knotted native states requires a concerted series of folding …
Optimal coarse-grained site selection in elastic network models of biomolecules
Elastic network models, simple structure-based representations of biomolecules where
atoms interact via short-range harmonic potentials, provide great insight into a molecule's …
atoms interact via short-range harmonic potentials, provide great insight into a molecule's …
The AAA+ protease ClpXP can easily degrade a 31 and a 52-knotted protein
EM Sivertsson, SE Jackson, LS Itzhaki - Scientific reports, 2019 - nature.com
Knots in proteins are hypothesized to make them resistant to enzymatic degradation by ATP-
dependent proteases and recent studies have shown that whereas ClpXP can easily …
dependent proteases and recent studies have shown that whereas ClpXP can easily …
Slipknotted and unknotted monovalent cation-proton antiporters evolved from a common ancestor
V Zayats, AP Perlinska, AI Jarmolinska… - PLoS computational …, 2021 - journals.plos.org
While the slipknot topology in proteins has been known for over a decade, its evolutionary
origin is still a mystery. We have identified a previously overlooked slipknot motif in a family …
origin is still a mystery. We have identified a previously overlooked slipknot motif in a family …
Untangling the influence of a protein knot on folding
DT Capraro, PA Jennings - Biophysical journal, 2016 - cell.com
Entanglement and knots occur across all aspects of the physical world. Despite the common
belief that knots are too complicated for incorporation into proteins, knots have been …
belief that knots are too complicated for incorporation into proteins, knots have been …
Knotting and unknotting proteins in the chaperonin cage: Effects of the excluded volume
S Niewieczerzal, JI Sulkowska - PloS one, 2017 - journals.plos.org
Molecular dynamics simulations are used to explore the effects of chaperonin-like cages on
knotted proteins with very low sequence similarity, different depths of a knot but with a …
knotted proteins with very low sequence similarity, different depths of a knot but with a …
Hydrophobic confinement modulates thermal stability and assists knotting in the folding of tangled proteins
There is growing support for the idea that the in vivo folding process of knotted proteins is
assisted by chaperonins, but the mechanism of chaperonin assisted folding remains elusive …
assisted by chaperonins, but the mechanism of chaperonin assisted folding remains elusive …
Computational methods in the study of self-entangled proteins: a critical appraisal
C Perego, R Potestio - Journal of Physics: Condensed Matter, 2019 - iopscience.iop.org
The existence of self-entangled proteins, the native structure of which features a complex
topology, unveils puzzling, and thus fascinating, aspects of protein biology and evolution …
topology, unveils puzzling, and thus fascinating, aspects of protein biology and evolution …
Topology of polymer chains under nanoscale confinement
Spatial confinement limits the conformational space accessible to biomolecules but the
implications for bimolecular topology are not yet known. Folded linear biopolymers can be …
implications for bimolecular topology are not yet known. Folded linear biopolymers can be …