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 …
Equilibrium knots are common in biological polymers—their prevalence, size distribution, structure, and dynamics have been extensively studied, with implications to fundamental …
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 …
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 …
The protein topology database KnotProt, http://knotprot. cent. uw. edu. pl/, collects information about protein structures with open polypeptide chains forming knots or slipknots …
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 …
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 …
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 …
Exploring the landscape of large scale conformational changes such as protein folding at atomistic detail poses a considerable computational challenge. Coarse-grained …