Results 21 to 30 of about 91 (73)
The Weighted Gaussian Curvature Derivative of a Space-Filling Diagram
Computational and Mathematical Biophysics, 2020 The morphometric approach [11, 14] writes the solvation free energy as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram.
Akopyan Arsenyi, Edelsbrunner Herbert
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Neighborhood hypergraph model for topological data analysis
Computational and Mathematical Biophysics, 2022 Hypergraph, as a generalization of the notions of graph and simplicial complex, has gained a lot of attention in many fields. It is a relatively new mathematical model to describe the high-dimensional structure and geometric shapes of data sets.
Liu Jian, Chen Dong, Li Jingyan, Wu Jie
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NMR Protein Structure Calculation and Sphere Intersections
Computational and Mathematical Biophysics, 2020 Nuclear Magnetic Resonance (NMR) experiments can be used to calculate 3D protein structures and geometric properties of protein molecules allow us to solve the problem iteratively using a combinatorial method, called Branch-and-Prune (BP).
Lavor Carlile +3 more
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Forgotten Polynomial and Forgotten Index of Certain Interconnection Networks
, 2017 Chemical reaction network theory is an area of applied mathematics that attempts to model the behavior of real world chemical systems. Since its foundation in the 1960s, it has attracted a growing research community, mainly due to its applications in ...
H. Siddiqui, M. Farahani
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M-Polynomials and degree-based Topological Indices of Some Families of Convex Polytopes
, 2018 In this article, we compute closed forms of M-polynomial for three general classes of convex polytopes. From the M-polynomial, we derive degree-based topological indices such as first and second Zagreb indices, modified second Zagreb index, Symmetric ...
M. Riaz, Wei Gao, A. Q. Baig
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The Minimum Harmonic Index for Unicyclic Graphs with Given Diameter
Discussiones Mathematicae Graph Theory, 2018 The harmonic index of a graph G is defined as the sum of the weights 2d(u)+d(v)${2 \over {d(u) + d(v)}}$ of all edges uv of G, where d(u) denotes the degree of a vertex u in G.
Zhong Lingping
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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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Injectivity results for coarse homology theories
Proceedings of the London Mathematical Society, Volume 121, Issue 6, Page 1619-1684, December 2020., 2020 Abstract We show injectivity results for assembly maps using equivariant coarse homology theories with transfers. Our method is based on the descent principle and applies to a large class of linear groups or, more generally, groups with finite decomposition complexity.
Ulrich Bunke +3 more
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The Smallest Harmonic Index of Trees with Given Maximum Degree
Discussiones Mathematicae Graph Theory, 2018 The harmonic index of a graph G, denoted by H(G), is defined as the sum of weights 2/[d(u) + d(v)] over all edges uv of G, where d(u) denotes the degree of a vertex u. In this paper we establish a lower bound on the harmonic index of a tree T.
Rasi Reza, Sheikholeslami Seyed Mahmoud
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$M$-POLYNOMIALS AND TOPOLOGICAL INDICES OF SILICATE AND OXIDE NETWORKS
, 2017 A topological index is a numeric quantity that characterizes the whole structure of a molecular graph of the chemical compound and helps to understand its physical features, chemical reactivities and boiling activities.
M. Javaid, C. Jung
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