viewSq, a Visual Molecular Dynamics (VMD) module for calculating, analyzing, and visualizing X-ray and neutron structure factors from atomistic simulations

T Mackoy, B Kale, ME Papka, RA Wheeler - Computer Physics …, 2021 - Elsevier
Abstract viewSq is a Visual Molecular Dynamics (VMD) module for calculating structure
factors (S (q)) and partial structure factors for any user-selected atomic selections (S sel 1 …

[图书][B] A geometric algebra invitation to space-time physics, robotics and molecular geometry

C Lavor, S Xambó-Descamps, I Zaplana - 2018 - books.google.com
This book offers a gentle introduction to key elements of Geometric Algebra, along with their
applications in Physics, Robotics and Molecular Geometry. Major applications covered are …

[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 …

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 …

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 …

Open research areas in distance geometry

L Liberti, C Lavor - Open problems in optimization and data analysis, 2018 - Springer
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Advertisement SpringerLink Account Menu Find a journal Publish with us Track your research …

A note on computing the intersection of spheres in

DS Maioli, C Lavor, DS Gonçalves - The ANZIAM Journal, 2017 - cambridge.org
A NOTE ON COMPUTING THE INTERSECTION OF SPHERES IN Rn Page 1 ANZIAM J. 59(2017),
271–279 doi:10.1017/S1446181117000372 A NOTE ON COMPUTING THE INTERSECTION …

On the polynomiality of finding KDMDGP re-orders

C Lavor, M Souza, LM Carvalho, L Liberti - Discrete Applied Mathematics, 2019 - Elsevier
On the polynomiality of finding KDMDGP re-orders - ScienceDirect Skip to main contentSkip to
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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 …