Results 21 to 30 of about 83 (82)
On The Numerical Solution of the General “Ligand–Gated Neuroreceptors Model” via CAS MATHEMATICA [PDF]
, 2016 [Kyurkchiev Nikolay; Кюркчиев Николай]We present a software module for analysis of the general “ligand–gated neuroreceptors model” (GLGNM) within the programming environment of CAS Mathematica. Numerical examples which demonstrate scientific applications
Kyurkchiev, Nikolay
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CBSF: A New Empirical Scoring Function for Docking Parameterized by Weights of Neural Network
Computational and Mathematical Biophysics, 2019 A new CBSF empirical scoring function for the estimation of binding energies between proteins and small molecules is proposed in this report. The final score is obtained as a sum of three energy terms calculated using descriptors based on a simple ...
Syrlybaeva Raulia R., Talipov Marat R.
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The Weighted Mean Curvature Derivative of a Space-Filling Diagram
Computational and Mathematical Biophysics, 2020 Representing an atom by a solid sphere in 3-dimensional Euclidean space, we get the space-filling diagram of a molecule by taking the union. Molecular dynamics simulates its motion subject to bonds and other forces, including the solvation free energy ...
Akopyan Arsenyi, Edelsbrunner Herbert
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Homotopy type of the complex of free factors of a free group
Proceedings of the London Mathematical Society, Volume 121, Issue 6, Page 1737-1765, December 2020., 2020 Abstract We show that the complex of free factors of a free group of rank n⩾2 is homotopy equivalent to a wedge of spheres of dimension n−2. We also prove that for n⩾2, the complement of (unreduced) Outer space in the free splitting complex is homotopy equivalent to the complex of free factor systems and moreover is (n−2)‐connected.
Benjamin Brück, Radhika Gupta
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When products of projections diverge
Journal of the London Mathematical Society, Volume 102, Issue 1, Page 345-367, August 2020., 2020 Abstract Slow convergence of cyclic projections implies divergence of random projections and vice versa. Let L1,L2,⋯,LK be a family of K closed subspaces of a Hilbert space. It is well known that although the cyclic product of the orthogonal projections on these spaces always converges in norm, random products might diverge.
Eva Kopecká
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Decomposing tournaments into paths
Proceedings of the London Mathematical Society, Volume 121, Issue 2, Page 426-461, August 2020., 2020 Abstract We consider a generalisation of Kelly's conjecture which is due to Alspach, Mason, and Pullman from 1976. Kelly's conjecture states that every regular tournament has an edge decomposition into Hamilton cycles, and this was proved by Kühn and Osthus for large tournaments. The conjecture of Alspach, Mason, and Pullman asks for the minimum number
Allan Lo +3 more
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Untwisting 3‐strand torus knots
Bulletin of the London Mathematical Society, Volume 52, Issue 3, Page 429-436, June 2020., 2020 Abstract We prove that the signature bound for the topological 4‐genus of 3‐strand torus knots is sharp, using McCoy's twisting method. We also show that the bound is off by at most 1 for 4‐strand and 6‐strand torus knots, and improve the upper bound on the asymptotic ratio between the topological 4‐genus and the Seifert genus of torus knots from 2/3 ...
S. Baader, I. Banfield, L. Lewark
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Analele Stiintifice ale Universitatii Ovidius Constanta: Seria Matematica, 2018 Similarly to Wiener index, hyper-Wiener index of a connected graph is a widely applied topological index measuring the compactness of the structure described by the given graph. Hyper-Wiener index is the sum of the distances plus the squares of distances
Mujahed Hamzeh, Nagy Benedek
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Topological Indices of Para-line Graphs of V-Phenylenic Nanostructures
Open Mathematics, 2019 The degree-based topological indices are numerical graph invariants which are used to correlate the physical and chemical properties of a molecule with its structure.
Nadeem Imran +3 more
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Sharp Upper Bounds on the Clar Number of Fullerene Graphs
Discussiones Mathematicae Graph Theory, 2018 The Clar number of a fullerene graph with n vertices is bounded above by ⌊n/6⌋ − 2 and this bound has been improved to ⌊n/6⌋ − 3 when n is congruent to 2 modulo 6.
Gao Yang, Zhang Heping
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