The rise and promise of molecular nanotopology

QH Guo, Y Jiao, Y Feng, JF Stoddart - CCS Chemistry, 2021 - chinesechemsoc.org
Molecular nanotopology—a term we coined recently—is a rapidly developing field of
research that is emerging out of the confluence of chemical topology with the mechanical …

Polymers with spatial or topological constraints: Theoretical and computational results

C Micheletti, D Marenduzzo, E Orlandini - Physics Reports, 2011 - Elsevier
In this review, we provide an organized summary of the theoretical and computational
results that are available for polymers subject to spatial or topological constraints. Because …

Complex DNA knots detected with a nanopore sensor

R Kumar Sharma, I Agrawal, L Dai, PS Doyle… - Nature …, 2019 - nature.com
Equilibrium knots are common in biological polymers—their prevalence, size distribution,
structure, and dynamics have been extensively studied, with implications to fundamental …

De novo design of knotted tandem repeat proteins

LA Doyle, B Takushi, RD Kibler, LF Milles… - Nature …, 2023 - nature.com
De novo protein design methods can create proteins with folds not yet seen in nature. These
methods largely focus on optimizing the compatibility between the designed sequence and …

AlphaFold predicts novel human proteins with knots

AP Perlinska, WH Niemyska, BA Gren… - Protein …, 2023 - Wiley Online Library
The fact that proteins can have their chain formed in a knot is known for almost 30 years.
However, as they are not common, only a fraction of such proteins is available in the Protein …

KnotProt: a database of proteins with knots and slipknots

M Jamroz, W Niemyska, EJ Rawdon… - Nucleic acids …, 2015 - academic.oup.com
The protein topology database KnotProt, http://knotprot. cent. uw. edu. pl/, collects
information about protein structures with open polypeptide chains forming knots or slipknots …

Conservation of complex knotting and slipknotting patterns in proteins

JI Sulkowska, EJ Rawdon, KC Millet, JN Onuchic… - Biophysical …, 2012 - cell.com
The last decade has shown that there are an increasing numbers of known proteins that
contain linear open knots or slipknots in their native folded structure. In general, knots in …

Stereoselective synthesis of a composite knot with nine crossings

L Zhang, AJ Stephens, AL Nussbaumer… - Nature Chemistry, 2018 - nature.com
The simultaneous synthesis of a molecular nine-crossing composite knot that contains three
trefoil tangles of the same handedness and a 9 7 3 link (a type of cyclic [3] catenane …

Molecular knots in biology and chemistry

NCH Lim, SE Jackson - Journal of Physics: Condensed Matter, 2015 - iopscience.iop.org
Knots and entanglements are ubiquitous. Beyond their aesthetic appeal, these fascinating
topological entities can be either useful or cumbersome. In recent decades, the importance …

Insights from coarse-grained Gō models for protein folding and dynamics

RD Hills Jr, CL Brooks III - International journal of molecular sciences, 2009 - mdpi.com
Exploring the landscape of large scale conformational changes such as protein folding at
atomistic detail poses a considerable computational challenge. Coarse-grained …