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    • Pure Mathematics
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    • Pure Mathematics
Closed macromolecular chains may form physically knotted conformations whose relative occurrence and spatial measurements provide insight into their properties and the mechanisms acting upon them. Under the assumption of a degree of... more
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    •   9  
      EngineeringComputational PhysicsMathematical SciencesPhysical sciences
Momentary configurations of long polymers at thermal equilibrium usually deviate from spherical symmetry and can be better described, on average, by a prolate ellipsoid. The asphericity and nature of asphericity (or prolateness) that... more
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    •   8  
      EngineeringModelingNumerical SimulationMacromolecules
A generic map of a smooth surface M to an oriented smooth surface N is an immersion except on a compact family of curves where it may have fold or cusp singularities. If the domain is oriented, the map is homotopic to one having no cusps... more
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    • Pure Mathematics
Previous work on radius of gyration and average crossing number has demonstrated that polymers with fixed topology show a different scaling behavior with respect to these characteristics than polymers with unrestricted topology . Using... more
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    •   10  
      EngineeringNumerical SimulationCurvatureMacromolecules
We use numerical simulations to investigate how the chain length and topology of freely fluctuating knotted polymer rings affect their various spatial characteristics such as the radius of the smallest sphere enclosing momentary... more
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    •   5  
      EngineeringNumerical SimulationMacromoleculesCHEMICAL SCIENCES
Polygonal knots are embeddings of polygons in three space. For each n, the collection of embedded n-gons determines a subset of Euclidean space whose structure is the subject of this paper. Which knots can be constructed with a specified... more
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    •   4  
      Monte CarloKnot TheoryEuclidean spacePhysical Properties
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    • Pure Mathematics
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Random walks and polygons are used to model polymers. In this paper we consider the extension of writhe, self-linking number and linking number to open chains. We then study the average writhe, self-linking and linking number of random... more
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      Mathematical SciencesPhysical sciences
We simulate freely jointed chains to investigate how knotting affects the overall shapes of freely fluctuating circular polymeric chains. To characterize the shapes of knotted polygons, we construct enveloping ellipsoids that minimize... more
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    •   10  
      EngineeringPolymersChemical PhysicsComputer Simulation
Using numerical simulations we investigate how overall dimensions of random knots scale with their length. We demonstrate that when closed non-self-avoiding random trajectories are divided into groups consisting of individual knot types,... more
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    •   5  
      MultidisciplinaryNumerical SimulationRandom WalkSelf Avoiding Walk
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    •   8  
      Protein FoldingBiophysical ChemistryMultidisciplinaryBiological Sciences
In this paper, we study the average crossing number of equilateral random walks and polygons. We show that the mean average crossing number ACN of all equilateral random walks of length n is of the form 3 16 ·n·ln n+O(n). A similar result... more
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    •   5  
      Random WalkMathematical SciencesPhysical sciencesRadius of Gyration
We investigate the influence of knotting and chirality on the shape of knotted polygons forming trefoil knots compared to unknotted polygons by aligning independent configurations along their principal inertial axes. While for six edge... more
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      Mathematical SciencesPhysical sciences
The probability that a random walk or polygon in the 3-space or in the simple cubic lattice contains a small knot, an ephemeral knot, or a slipknot goes to one as the length goes to infinity. The probability that a polygon or walk... more
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      Mathematical SciencesPhysical sciences
We introduce disk matrices which encode the knotting of all subchains in circular knot configurations. The disk matrices allow us to dissect circular knots into their subknots, i.e. knot types formed by subchains of the global knot. The... more
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    •   4  
      AlgorithmsPeptidesProteinsProtein Conformation
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    • Pure Mathematics