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The Distance Geometry Problem (DGP) seeks to find positions for a set of points in geometric space when some distances between pairs of these points are known. The so-called discretization assumptions allow to discretize the search space of…

Optimization and Control · Mathematics 2021-07-02 Moira MacNeil , Merve Bodur

Given a weighted undirected graph $G=(V,E,d)$, the Molecular Distance Geometry Problem (MDGP) is that of finding a function $x:G\to \mathbb{R}^{3}$, where $||x(u)-x(v)||=d(u,v)$ for each $\{u,v\}\in E$. We show that under a few assumptions…

Biomolecules · Quantitative Biology 2007-05-23 Carlile Lavor , Leo Liberti , Nelson Maculan

The fundamental inverse problem in distance geometry is the one of finding positions from inter-point distances. The Discretizable Molecular Distance Geometry Problem (DMDGP) is a subclass of the Distance Geometry Problem (DGP) whose search…

Combinatorics · Mathematics 2021-11-15 Douglas S. Goncalves , Carlile Lavor , Leo Liberti , Michael Souza

The Discretizable Molecular Distance Geometry Problem (DMDGP) consists in a subclass of the Molecular Distance Geometry Problem for which an embedding in ${\mathbb{R}^3}$ can be found using a Branch & Prune (BP) algorithm in a discrete…

Computational Geometry · Computer Science 2013-05-08 Alessandro Andrioni

An important application of distance geometry to biochemistry studies the embeddings of the vertices of a weighted graph in the three-dimensional Euclidean space such that the edge weights are equal to the Euclidean distances between…

Computational Geometry · Computer Science 2011-03-08 Leo Liberti , Carlile Lavor , Benoit Masson , Antonio Mucherino

The Discretizable Molecular Distance Geometry Problem (DMDGP) aims to determine the three-dimensional protein structure using distance information from nuclear magnetic resonance experiments. The DMDGP has a finite number of candidate…

Quantum Physics · Physics 2022-07-20 Carlile Lavor , Franklin Marquezino , Andres Oliveira , Renato Portugal

The Molecular Distance Geometry Problem (MDGP) is essential in structural biology, as it seeks to determine three-dimensional protein structures from partial interatomic distances. Its discretizable subclass (DMDGP) admits an exact…

Optimization and Control · Mathematics 2025-10-24 Leonardo D. Secchin , Wagner da Rocha , Mariana da Rosa , Leo Liberti , Carlile Lavor

Distance Geometry plays a central role in determining protein structures from Nuclear Magnetic Resonance (NMR) data, a task known as the Molecular Distance Geometry Problem (MDGP). A subclass of this problem, the Discretizable Distance…

Given an integer dimension K and a simple, undirected graph G with positive edge weights, the Distance Geometry Problem (DGP) aims to find a realization function mapping each vertex to a coordinate in K-dimensional space such that the…

Optimization and Control · Mathematics 2020-10-13 Moira MacNeil , Merve Bodur

A Geometric programming (GP) is a type of mathematical problem characterized by objective and constraint functions that have a special form. Many methods have been developed to solve large scale engineering design GP problems. In this paper…

Data Structures and Algorithms · Computer Science 2009-12-10 Dr. A. K. Ojha , K. K. Biswal

Distance Geometry Problem (DGP) and Nonlinear Mapping (NLM) are two well established questions: Distance Geometry Problem is about finding a Euclidean realization of an incomplete set of distances in a Euclidean space, whereas Nonlinear…

Computational Geometry · Computer Science 2019-05-10 Alain Franc , Pierre Blanchard , Olivier Coulaud

The Euclidean distance geometry problem arises in a wide variety of applications, from determining molecular conformations in computational chemistry to localization in sensor networks. When the distance information is incomplete, the…

Information Theory · Computer Science 2018-10-30 Abiy Tasissa , Rongjie Lai

The gradient discretisation method (GDM) is a generic framework designed recently, as a discretise in spatial space, to partial differential equations. This paper aims to use the GDM to establish a first general error estimate for numerical…

Numerical Analysis · Mathematics 2020-09-22 Yahya Alnashri

Geometric programming (GP) is a well-known optimization tool for dealing with a wide range of nonlinear optimization and engineering problems. In general, it is assumed that the parameters of a GP problem are deterministic and accurate.…

Optimization and Control · Mathematics 2026-03-09 Tapas Mondal , Akshay Kumar Ojha , Sabyasachi Pani

The circular median problem in the Double-Cut-and-Join (DCJ) distance asks to find, for three given genomes, a fourth circular genome that minimizes the sum of the mutual distances with the three other ones. This problem has been shown to…

Discrete Mathematics · Computer Science 2011-11-28 Ahmad Mahmoody-Ghaidary , Cedric Chauve , Ladislav Stacho

The thesis concentrates on two problems in discrete geometry, whose solutions are obtained by analytic, probabilistic and combinatoric tools. The first chapter deals with the strong polarization problem. This states that for any sequence…

Metric Geometry · Mathematics 2019-07-12 Gergely Ambrus

Geometric programming problem is a powerful tool for solving some special type non-linear programming problems. It has a wide range of applications in optimization and engineering for solving some complex optimization problems. Many…

Data Structures and Algorithms · Computer Science 2010-03-25 A. K. Ojha , K. K. Biswal

The Distance Geometry Problem asks for a realization of a given weighted graph in $\mathbb{R}^K$. Two variants of this problem, both originating from protein conformation, are based on a given vertex order (which abstracts the protein…

Computational Geometry · Computer Science 2021-10-05 Germano Abud , Jorge Alencar , Carlile Lavor , Leo Liberti , Antonio Mucherino

We survey theoretical, algorithmic, and computational results at the intersection of distance geometry problems and mathematical programming, both with and without adjacencies as part of the input. While mathematical programming methods can…

Optimization and Control · Mathematics 2024-10-22 Leo Liberti , Carlile Lavor

A discretisation scheme that preserves topological features of a physical problem is extended so that differential geometric structures can be approximated in a consistent way thus giving access to the study of physical systems which are…

High Energy Physics - Theory · Physics 2007-05-23 Vivien de Beauce , Siddhartha Sen
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