Recent advances on the interval distance geometry problem

DS Gonçalves, A Mucherino, C Lavor… - Journal of Global …, 2017 - Springer
We discuss a discretization-based solution approach for a classic problem in global
optimization, namely the distance geometry problem (DGP). We focus our attention on a …

Assigned and unassigned distance geometry: applications to biological molecules and nanostructures

SJL Billinge, PM Duxbury, DS Gonçalves, C Lavor… - 4OR, 2016 - Springer
Considering geometry based on the concept of distance, the results found by Menger and
Blumenthal originated a body of knowledge called distance geometry. This survey covers …

Recent results on assigned and unassigned distance geometry with applications to protein molecules and nanostructures

SJL Billinge, PM Duxbury, DS Gonçalves… - Annals of Operations …, 2018 - Springer
In the 2 years since our last 4OR review of distance geometry methods with applications to
proteins and nanostructures, there has been rapid progress in treating uncertainties in the …

Clifford algebra and discretizable distance geometry

R Alves, C Lavor, C Souza… - Mathematical Methods in …, 2018 - Wiley Online Library
Protein structure calculations using nuclear magnetic resonance (NMR) experiments are
one of the most important applications of distance geometry. The chemistry of proteins and …

Improving the sampling process in the interval Branch-and-Prune algorithm for the discretizable molecular distance geometry problem

C Lavor, M Souza, LM Carvalho, DS Gonçalves… - Applied Mathematics …, 2021 - Elsevier
Protein structure determination using Nuclear Magnetic Resonance (NMR) experiments is
one of the most important applications of Distance Geometry, called the Molecular Distance …

An efficient exhaustive search for the discretizable distance geometry problem with interval data

A Mucherino, JH Lin - 2019 Federated Conference on …, 2019 - ieeexplore.ieee.org
The Distance Geometry Problem (DGP) asks whether a simple weighted undirected graph
can be realized in a given space (generally Euclidean) so that a given set of distance …

A coarse-grained representation for discretizable distance geometry with interval data

A Mucherino, JH Lin, DS Gonçalves - … 2019, Granada, Spain, May 8-10 …, 2019 - Springer
We propose a coarse-grained representation for the solutions of discretizable instances of
the Distance Geometry Problem (DGP). In several real-life applications, the distance …

NMR protein structure calculation and sphere intersections

C Lavor, R Alves, M Souza, LA José - … and Mathematical Biophysics, 2020 - degruyter.com
Abstract Nuclear Magnetic Resonance (NMR) experiments can be used to calculate 3D
protein structures and geometric properties of protein molecules allow us to solve the …

On the exact solution of the distance geometry with interval distances in dimension 1

A Mucherino - … Advances in Computational Optimization: Results of …, 2018 - Springer
Distance Geometry consists in embedding a simple weighted undirected graph in a given
space so that the distances between embedded vertices correspond to the edge weights …

On the discretization of distance geometry: Theory, algorithms and applications

A Mucherino - 2018 - inria.hal.science
Over the last years, my research activity has mainly been focused on Distance Geometry
(DG). Differently from the classical Euclidean Geometry, DG solely relies on distances, and …