[HTML][HTML] Minimal NMR distance information for rigidity of protein graphs

C Lavor, L Liberti, B Donald, B Worley… - Discrete Applied …, 2019 - Elsevier
Abstract Nuclear Magnetic Resonance (NMR) experiments provide distances between
nearby atoms of a protein molecule. The corresponding structure determination problem is …

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 …

Linear and geometric algebra approaches for sphere and spherical shell intersections in Rn

C Lavor, R Alves, LAF Fernandes - Expert Systems with Applications, 2022 - Elsevier
Many practical problems involve sphere intersections. Examples include but are not limited
to estimations using the Global Positioning System (GPS), data science applications and 3D …

[HTML][HTML] Realizing Euclidean distance matrices by sphere intersection

J Alencar, C Lavor, L Liberti - Discrete Applied Mathematics, 2019 - Elsevier
This paper presents the theoretical properties of an algorithm to find a realization of a (full)
n× n Euclidean distance matrix in the smallest possible embedding dimension. Our …

Distance geometry and protein loop modeling

R Labiak, C Lavor, M Souza - Journal of Computational …, 2022 - Wiley Online Library
Due to the role of loops in protein function, loop modeling is an important problem in
computational biology. We present a new approach to loop modeling based on a …

An upper bound on the Hausdorff distance between a Pareto set and its discretization in bi-objective convex quadratic optimization

BE Ondes, SR Hunter - Optimization Letters, 2023 - Springer
We provide upper bounds on the Hausdorff distances between the efficient set and its
discretization in the decision space, and between the Pareto set (also called the Pareto …

A New Algorithm for the DMDGP Subclass of Distance Geometry Problems with Exact Distances

DS Gonçalves, C Lavor, L Liberti, M Souza - Algorithmica, 2021 - Springer
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 …

Unassigned distance geometry and molecular conformation problems

P Duxbury, C Lavor, L Liberti… - Journal of Global …, 2022 - Springer
Abstract 3D protein structures and nanostructures can be obtained by exploiting distance
information provided by experimental techniques, such as nuclear magnetic resonance 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 …

Geometric algebra to describe the exact discretizable molecular distance geometry problem for an arbitrary dimension

VS Camargo, EV Castelani, LAF Fernandes… - Advances in Applied …, 2019 - Springer
Abstract The K-Discretizable Molecular Distance Geometry Problem (^ K DMDGP K
DMDGP) is a subclass of the Distance Geometry Problem (DGP), whose complexity is NP …