Systematic exploration of protein conformational space using a distance geometry approach

TE Malliavin, A Mucherino, C Lavor… - Journal of Chemical …, 2019 - ACS Publications
The optimization approaches classically used during the determination of protein structure
encounter various difficulties, especially when the size of the conformational space is large …

Low-resolution description of the conformational space for intrinsically disordered proteins

D Förster, J Idier, L Liberti, A Mucherino, JH Lin… - Scientific Reports, 2022 - nature.com
Intrinsically disordered proteins (IDP) are at the center of numerous biological processes,
and attract consequently extreme interest in structural biology. Numerous approaches have …

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 …

Tandem domain structure determination based on a systematic enumeration of conformations

TE Malliavin - Scientific Reports, 2021 - nature.com
Protein structure determination is undergoing a change of perspective due to the larger
importance taken in biology by the disordered regions of biomolecules. In such cases, the …

Oriented conformal geometric algebra and the molecular distance geometry problem

C Lavor, R Alves - Advances in Applied Clifford Algebras, 2019 - Springer
The problem of 3D protein structure determination using distance information from nuclear
magnetic resonance (NMR) experiments is a classical problem in distance geometry. NMR …

Influence of stereochemistry in a local approach for calculating protein conformations

W Da Rocha, L Liberti, A Mucherino… - Journal of Chemical …, 2024 - ACS Publications
Protein structure prediction is generally based on the use of local conformational information
coupled with long-range distance restraints. Such restraints can be derived from 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] On the estimation of unknown distances for a class of Euclidean distance matrix completion problems with interval data

ADB Sánchez, C Lavor - Linear Algebra and its Applications, 2020 - Elsevier
We consider some Euclidean distance matrix completion problems whose structure is
inspired by molecular conformation problems. Some matrix distances are given precisely or …

A quantum approach to the discretizable molecular distance geometry problem

C Lavor, F Marquezino, A Oliveira… - Quantum Information …, 2022 - Springer
Abstract The Discretizable Molecular Distance Geometry Problem (DMDGP) aims to
determine the three-dimensional protein structure using distance information from nuclear …

A Study on the Covalent Geometry of Proteins and Its Impact on Distance Geometry

SB Hengeveld, M Merabti, F Pascale… - … Conference on Geometric …, 2023 - Springer
Abstract The Distance Geometry Problem (DGP) involves determining the positions of a set
of points in space based on the distances between them. Due to the importance of …