Shortest Paths in a Cuboidal World

2006 ◽  
pp. 415-429 ◽  
Author(s):  
Fajie Li ◽  
Reinhard Klette
Keyword(s):  
Shortest Paths

eMap: A Web Application for Identifying and Visualizing Electron or Hole Hopping Pathways in Proteins

2019 ◽  
Author(s):  
Ruslan N. Tazhigulov ◽  
James R. Gayvert ◽  
Melissa Wei ◽  
Ksenia B. Bravaya
Keyword(s):  
Web Application ◽  
Shortest Paths ◽  
Coarse Grained ◽  
Decay Parameter ◽  
Electron Hole ◽  
Web Based ◽  
Aromatic Amino Acid Residue ◽  
Pathways Model ◽  
Visualization Tools ◽  
Effective Decay

<p>eMap is a web-based platform for identifying and visualizing electron or hole transfer pathways in proteins based on their crystal structures. The underlying model can be viewed as a coarse-grained version of the Pathways model, where each tunneling step between hopping sites represented by electron transfer active (ETA) moieties is described with one effective decay parameter that describes protein-mediated tunneling. ETA moieties include aromatic amino acid residue side chains and aromatic fragments of cofactors that are automatically detected, and, in addition, electron/hole residing sites that can be specified by the users. The software searches for the shortest paths connecting the user-specified electron/hole source to either all surface-exposed ETA residues or to the user-specified target. The identified pathways are ranked based on their length. The pathways are visualized in 2D as a graph, in which each node represents an ETA site, and in 3D using available protein visualization tools. Here, we present the capability and user interface of eMap 1.0, which is available at https://emap.bu.edu.</p>

Computer algorithms

2018 ◽  
Author(s):  
Mark Newman
Keyword(s):  
Data Structures ◽  
Analysis Of Algorithms ◽  
Shortest Paths ◽  
Minimum Cut ◽  
Network Data ◽  
Computer Algorithms ◽  
Breadth First Search ◽  
Augmenting Path ◽  
Basic Concepts ◽  
Maximum Flows

This chapter introduces some of the fundamental concepts of numerical network calculations. The chapter starts with a discussion of basic concepts of computational complexity and data structures for storing network data, then progresses to the description and analysis of algorithms for a range of network calculations: breadth-first search and its use for calculating shortest paths, shortest distances, components, closeness, and betweenness; Dijkstra's algorithm for shortest paths and distances on weighted networks; and the augmenting path algorithm for calculating maximum flows, minimum cut sets, and independent paths in networks.

scholarly journals Lower bounds for computing geometric spanners and approximate shortest paths

2001 ◽  
Vol 110 (2-3) ◽  
pp. 151-167 ◽  
Author(s):  
Danny Z. Chen ◽  
Gautam Das ◽  
Michiel Smid
Keyword(s):  
Lower Bounds ◽  
Shortest Paths ◽  
Geometric Spanners

Shortest Paths on Cubes

2021 ◽  
Vol 52 (2) ◽  
pp. 121-132
Author(s):  
Richard Goldstone ◽  
Rachel Roca ◽  
Robert Suzzi Valli
Keyword(s):  
Shortest Paths

scholarly journals Computing nearest neighbour interchange distances between ranked phylogenetic trees

2021 ◽  
Vol 82 (1-2) ◽  
Author(s):  
Lena Collienne ◽  
Alex Gavryushkin
Keyword(s):  
Cancer Research ◽  
Computational Complexity ◽  
Phylogenetic Tree ◽  
Shortest Path ◽  
Phylogenetic Trees ◽  
Shortest Paths ◽  
Nearest Neighbour ◽  
Tree Inference ◽  
Subtree Prune And Regraft ◽  
Comparison Algorithms

AbstractMany popular algorithms for searching the space of leaf-labelled (phylogenetic) trees are based on tree rearrangement operations. Under any such operation, the problem is reduced to searching a graph where vertices are trees and (undirected) edges are given by pairs of trees connected by one rearrangement operation (sometimes called a move). Most popular are the classical nearest neighbour interchange, subtree prune and regraft, and tree bisection and reconnection moves. The problem of computing distances, however, is $${\mathbf {N}}{\mathbf {P}}$$ N P -hard in each of these graphs, making tree inference and comparison algorithms challenging to design in practice. Although anked phylogenetic trees are one of the central objects of interest in applications such as cancer research, immunology, and epidemiology, the computational complexity of the shortest path problem for these trees remained unsolved for decades. In this paper, we settle this problem for the ranked nearest neighbour interchange operation by establishing that the complexity depends on the weight difference between the two types of tree rearrangements (rank moves and edge moves), and varies from quadratic, which is the lowest possible complexity for this problem, to $${\mathbf {N}}{\mathbf {P}}$$ N P -hard, which is the highest. In particular, our result provides the first example of a phylogenetic tree rearrangement operation for which shortest paths, and hence the distance, can be computed efficiently. Specifically, our algorithm scales to trees with tens of thousands of leaves (and likely hundreds of thousands if implemented efficiently).

The Geometry of d2y1/dt2 = f (y, ẏ, t) and d2y2/dt2 = g(y, ẏ, t), and Euclidean Spaces

2006 ◽  
Vol 49 (2) ◽  
pp. 170-184
Author(s):  
Richard Atkins
Keyword(s):  
Differential Equations ◽  
Ordinary Differential Equations ◽  
Shortest Paths ◽  
Equivalence Problem ◽  
Second Order ◽  
System Of Differential Equations ◽  
Lagrange Equations ◽  
Invariant Functions ◽  
Underlying Geometry ◽  
The Relationship

AbstractThis paper investigates the relationship between a system of differential equations and the underlying geometry associated with it. The geometry of a surface determines shortest paths, or geodesics connecting nearby points, which are defined as the solutions to a pair of second-order differential equations: the Euler–Lagrange equations of the metric. We ask when the converse holds, that is, when solutions to a system of differential equations reveals an underlying geometry. Specifically, when may the solutions to a given pair of second order ordinary differential equations d2y1/dt2 = f (y, ẏ, t) and d2y2/dt2 = g(y, ẏ, t) be reparameterized by t → T(y, t) so as to give locally the geodesics of a Euclidean space? Our approach is based upon Cartan's method of equivalence. In the second part of the paper, the equivalence problem is solved for a generic pair of second order ordinary differential equations of the above form revealing the existence of 24 invariant functions.

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