A Hybrid Genetic Algorithm for Finding Stable Conformations of Small Molecules. - Helio J. C. Barbosa; Fernanda M. P. Raupp; Carlile Lavor; H. Lima; Nelson Maculan (SBRN, 2000)

A Function to Test Methods Applied to Global Minimization of Potential Energy of Molecules. - Carlile Lavor; Nelson Maculan (Numer. Algorithms, 2004)

A GA-Simplex Hybrid Algorithm for Global Minimization of Molecular Potential Energy Functions. - Helio J. C. Barbosa; Carlile Lavor; Fernanda M. P. Raupp (Ann. Oper. Res., 2005)

A continuous variable neighborhood search heuristic for finding the three-dimensional structure of a molecule. - Milan Drazic; Carlile Lavor; Nelson Maculan; Nenad Mladenovic (Eur. J. Oper. Res., 2008)

Extending the geometric build-up algorithm for the molecular distance geometry problem. - Ricardo dos Santos Carvalho; Carlile Lavor; Fábio Protti (Inf. Process. Lett., 2008)

A Branch-and-Prune algorithm for the Molecular Distance Geometry Problem. - Leo Liberti; Carlile Lavor; Nelson Maculan (Int. Trans. Oper. Res., 2008)

The Molecular Distance Geometry Problem Applied to Protein Conformations. - Antonio Mucherino; Carlile Lavor; Nelson Maculan (CTW, 2009)

Comparisons between an exact and a metaheuristic algorithm for the molecular distance geometry problem. - Antonio Mucherino; Leo Liberti; Carlile Lavor; Nelson Maculan (GECCO, 2009)

Computing artificial backbones of hydrogen atoms in order to discover protein backbones. - Carlile Lavor; Antonio Mucherino; Leo Liberti; Nelson Maculan (IMCSIT, 2009)

On a discretizable subclass of instances of the molecular distance geometry problem. - Carlile Lavor; Leo Liberti; Antonio Mucherino; Nelson Maculan (SAC, 2009)

Reformulation in mathematical programming: An application to quantum chemistry. - Leo Liberti; Carlile Lavor; Nelson Maculan; Marco Antonio Chaer Nascimento (Discret. Appl. Math., 2009)

Double variable neighbourhood search with smoothing for the molecular distance geometry problem. - Leo Liberti; Carlile Lavor; Nelson Maculan; Fabrizio Marinelli 001 (J. Glob. Optim., 2009)

Molecular Distance Geometry Problem. - Carlile Lavor; Leo Liberti; Nelson Maculan (Encyclopedia of Optimization, 2009)

A parallel version of the Branch & Prune algorithm for the Molecular Distance Geometry Problem. - Antonio Mucherino; Carlile Lavor; Leo Liberti; El-Ghazali Talbi (AICCSA, 2010)

On the solution of molecular distance geometry problems with interval data. - Carlile Lavor; Leo Liberti; Antonio Mucherino (BIBM Workshops, 2010)

MD-jeep: An Implementation of a Branch and Prune Algorithm for Distance Geometry Problems. - Antonio Mucherino; Leo Liberti; Carlile Lavor (ICMS, 2010)

A symmetry-driven BP algorithm for the Discretizable Molecular Distance Geometry Problem. - Antonio Mucherino; Carlile Lavor; Leo Liberti (BIBM Workshops, 2011)

On the Number of Solutions of the Discretizable Molecular Distance Geometry Problem. - Leo Liberti; Benoît Masson; Jon Lee 001; Carlile Lavor; Antonio Mucherino (COCOA, 2011)

Branch-and-Prune trees with bounded width. - Leo Liberti; Benoît Masson; Carlile Lavor; Antonio Mucherino (CTW, 2011)

Influence of Pruning Devices on the Solution of Molecular Distance Geometry Problems. - Antonio Mucherino; Carlile Lavor; Therese E. Malliavin; Leo Liberti; Michael Nilges; Nelson Maculan (SEA, 2011)

Polynomial cases of the Discretizable Molecular Distance Geometry Problem - Leo Liberti; Carlile Lavor; Benoît Masson; Antonio Mucherino (CoRR, 2011)

A note on "A branch-and-prune algorithm for the molecular distance geometry problem". - Carlile Lavor; Leo Liberti; Nelson Maculan (Int. Trans. Oper. Res., 2011)

Molecular distance geometry methods: from continuous to discrete. - Leo Liberti; Carlile Lavor; Antonio Mucherino; Nelson Maculan (Int. Trans. Oper. Res., 2011)

On the computation of protein backbones by using artificial backbones of hydrogens. - Carlile Lavor; Antonio Mucherino; Leo Liberti; Nelson Maculan (J. Glob. Optim., 2011)

Hyperbolic smoothing and penalty techniques applied to molecular structure determination. - Michael Souza 001; Adilson Elias Xavier; Carlile Lavor; Nelson Maculan (Oper. Res. Lett., 2011)

On suitable orders for discretizing Molecular Distance Geometry Problems related to protein side chains. - Virginia Costa; Antonio Mucherino; Carlile Lavor; Luiz Mariano Carvalho; Nelson Maculan (FedCSIS, 2012)

A Parallel BP Algorithm for the Discretizable Distance Geometry Problem. - Warley Gramacho; Antonio Mucherino; Carlile Lavor; Nelson Maculan (IPDPS Workshops, 2012)

The discretizable molecular distance geometry problem. - Carlile Lavor; Leo Liberti; Nelson Maculan; Antonio Mucherino (Comput. Optim. Appl., 2012)

Recent advances on the Discretizable Molecular Distance Geometry Problem. - Carlile Lavor; Leo Liberti; Nelson Maculan; Antonio Mucherino (Eur. J. Oper. Res., 2012)

Exploiting Symmetry Properties of the Discretizable molecular Distance Geometry Problem. - Antonio Mucherino; Carlile Lavor; Leo Liberti (J. Bioinform. Comput. Biol., 2012)

Discretization orders for distance geometry problems. - Carlile Lavor; Jon Lee 001; Audrey Lee-St. John; Leo Liberti; Antonio Mucherino; Maxim Sviridenko (Optim. Lett., 2012)

The discretizable distance geometry problem. - Antonio Mucherino; Carlile Lavor; Leo Liberti (Optim. Lett., 2012)

Local solutions of maximum likelihood estimation in quantum state tomography. - Douglas Soares Gonçalves; Márcia A. Gomes-Ruggiero; Carlile Lavor; Osvaldo Jiménez Farias; Paulo H. Souto Ribeiro (Quantum Inf. Comput., 2012)

The Discretizable Molecular Distance Geometry Problem seems Easier on Proteins. - Leo Liberti; Carlile Lavor; Antonio Mucherino (Distance Geometry, 2013)

Solving the Discretizable Molecular Distance Geometry Problem by Multiple Realization Trees. - Pedro Nucci; Loana Tito Nogueira; Carlile Lavor (Distance Geometry, 2013)

Energy-based Pruning Devices for the BP Algorithm applied to Distance Geometry. - Douglas Soares Gonçalves; Antonio Mucherino; Carlile Lavor (FedCSIS, 2013)

Counting the Number of Solutions of KDMDGP Instances. - Leo Liberti; Carlile Lavor; Jorge Alencar; Germano Abud (GSI, 2013)

The integration of Clifford Algebra in the iBP algorithm for the DMDGP. - Rafael Alves; Andrea Cassioli; Antonio Mucherino; Carlile Lavor; Leo Liberti (IWBBIO, 2013)

Solving the molecular distance geometry problem with inaccurate distance data. - Michael Souza 001; Carlile Lavor; Albert Muritiba; Nelson Maculan (BMC Bioinform., 2013)

A discrete search algorithm for finding the structure of protein backbones and side chains. - Silas Sallaume; Simone de Lima Martins; Luiz Satoru Ochi; Warley Gramacho Da Silva; Carlile Lavor; Leo Liberti (Int. J. Bioinform. Res. Appl., 2013)

The interval Branch-and-Prune algorithm for the discretizable molecular distance geometry problem with inexact distances. - Carlile Lavor; Leo Liberti; Antonio Mucherino (J. Glob. Optim., 2013)

A Combinatorial Approach to Multidimensional Scaling. - Jorge Alencar; Tibérius O. Bonates; Carlile Lavor (BigData Congress, 2014)

An adaptive branching scheme for the Branch & Prune algorithm applied to Distance Geometry. - Douglas Soares Gonçalves; Antonio Mucherino; Carlile Lavor (FedCSIS, 2014)

On the number of realizations of certain Henneberg graphs arising in protein conformation. - Leo Liberti; Benoît Masson; Jon Lee 001; Carlile Lavor; Antonio Mucherino (Discret. Appl. Math., 2014)

Discretization orders for protein side chains. - Virginia Costa; Antonio Mucherino; Carlile Lavor; Andrea Cassioli; Luiz Mariano Carvalho; Nelson Maculan (J. Glob. Optim., 2014)

A new hybrid classical-quantum algorithm for continuous global optimization problems. - Pedro C. S. Lara; Renato Portugal; Carlile Lavor (J. Glob. Optim., 2014)

Global convergence of diluted iterations in maximum-likelihood quantum tomography. - Douglas Soares Gonçalves; Márcia A. Gomes-Ruggiero; Carlile Lavor (Quantum Inf. Comput., 2014)

Euclidean Distance Geometry and Applications. - Leo Liberti; Carlile Lavor; Nelson Maculan; Antonio Mucherino (SIAM Rev., 2014)

BetaMDGP: Protein Structure Determination Algorithm Based on the Beta-complex. - Jeongyeon Seo; Jae-Kwan Kim 001; Joonghyun Ryu; Carlile Lavor; Antonio Mucherino; Deok-Soo Kim (Trans. Comput. Sci., 2014)

Distance Geometry on the Sphere. - Leo Liberti; Grzegorz Swirszcz; Carlile Lavor (JCDCGG, 2015)

An algorithm to enumerate all possible protein conformations verifying a set of distance constraints. - Andrea Cassioli; Benjamin Bardiaux; Guillaume Bouvier; Antonio Mucherino; Rafael Alves; Leo Liberti; Michael Nilges; Carlile Lavor; Thérèse E. Malliavin (BMC Bioinform., 2015)

Discretization vertex orders in distance geometry. - Andrea Cassioli; Oktay Günlük; Carlile Lavor; Leo Liberti (Discret. Appl. Math., 2015)

Preface. - Antonio Mucherino; Rosiane de Freitas Rodrigues; Carlile Lavor (Discret. Appl. Math., 2015)

An algorithm for realizing Euclidean distance matrices. - Jorge Alencar; Tibérius O. Bonates; Carlile Lavor; Leo Liberti (Electron. Notes Discret. Math., 2015)

Advances on the Geometric Algebra approach to the Discretizable Molecular Distance Geometry Problem (DMDGP). - Rafael Alves; Cipriano de Souza; Carlile Lavor (CGI (Short Papers), 2016)

A New Approach to the Discretization of Multidimensional Scaling. - Antonio Mucherino; Warley Gramacho; Jung-Hsin Lin; Carlile Lavor (FedCSIS, 2016)

Assigned and unassigned distance geometry: applications to biological molecules and nanostructures. - Simon J. L. Billinge; Phillip M. Duxbury; Douglas Soares Gonçalves; Carlile Lavor; Antonio Mucherino (4OR, 2016)

Open research areas in distance geometry. - Leo Liberti; Carlile Lavor (CoRR, 2016)

A note on the sum of the largest signless Laplacian eigenvalues. - Bruno D. Amaro; Leonardo Silva de Lima; Carla Silva Oliveira; Carlile Lavor; Nair Abreu (Electron. Notes Discret. Math., 2016)

Preface to the Special Issue on Many Faces of Distances. - Carlile Lavor; Marcelo Firer; José Mario Martínez; Leo Liberti (Int. Trans. Oper. Res., 2016)

Six mathematical gems from the history of distance geometry. - Leo Liberti; Carlile Lavor (Int. Trans. Oper. Res., 2016)

A projected gradient method for optimization over density matrices. - Douglas Soares Gonçalves; Márcia A. Gomes-Ruggiero; Carlile Lavor (Optim. Methods Softw., 2016)

Euclidean Distance Geometry - an Introduction. - Leo Liberti; Carlile Lavor (Springer, 2017)

Modeling the Molecular Distance Geometry Problem Using Dihedral Angles. - Michael Souza 001; Carlile Lavor; Rafael Alves (ISBRA, 2017)

New Error Measures and Methods for Realizing Protein Graphs from Distance Data. - Claudia D'Ambrosio; Ky Khac Vu; Carlile Lavor; Leo Liberti; Nelson Maculan (Discret. Comput. Geom., 2017)

Calculating the possible conformations arising from uncertainty in the molecular distance geometry problem using constraint interval analysis. - Tiago Mendonça da Costa; H. Bouwmeester; Weldon A. Lodwick; Carlile Lavor (Inf. Sci., 2017)

Feasibility check for the distance geometry problem: an application to molecular conformations. - Agostinho Agra; Rosa Figueiredo 001; Carlile Lavor; Nelson Maculan; António Pereira 002; Cristina Requejo (Int. Trans. Oper. Res., 2017)

Recent advances on the interval distance geometry problem. - Douglas Soares Gonçalves; Antonio Mucherino; Carlile Lavor; Leo Liberti (J. Glob. Optim., 2017)

An Introduction to Distance Geometry applied to Molecular Geometry - Carlile Lavor; Leo Liberti; Weldon A. Lodwick; Tiago Mendonça da Costa (Springer, 2017)

Recent results on assigned and unassigned distance geometry with applications to protein molecules and nanostructures. - Simon J. L. Billinge; Phillip M. Duxbury; Douglas Soares Gonçalves; Carlile Lavor; Antonio Mucherino (Ann. Oper. Res., 2018)

A symmetry-based splitting strategy for discretizable distance geometry problems. - Felipe Fidalgo; Douglas Soares Gonçalves; Carlile Lavor; Leo Liberti; Antonio Mucherino (J. Glob. Optim., 2018)

A new algorithm for the small-field astrometric point-pattern matching problem. - Cláudio P. Santiago; Carlile Lavor; Sérgio Assunção Monteiro; Alberto Krone-Martins (J. Glob. Optim., 2018)

Tuning interval Branch-and-Prune for protein structure determination. - Bradley Worley; Florent Delhommel; Florence Cordier; Thérèse E. Malliavin; Benjamin Bardiaux; Nicolas Wolff; Michael Nilges; Carlile Lavor; Leo Liberti (J. Glob. Optim., 2018)

Realizing Euclidean distance matrices by sphere intersection. - Jorge Alencar; Carlile Lavor; Leo Liberti (Discret. Appl. Math., 2019)

Minimal NMR distance information for rigidity of protein graphs. - Carlile Lavor; Leo Liberti; Bruce Randall Donald; Bradley Worley; Benjamin Bardiaux; Thérèse E. Malliavin; Michael Nilges (Discret. Appl. Math., 2019)

On the polynomiality of finding KDMDGP re-orders. - Carlile Lavor; Michael Souza 001; Luiz Mariano Carvalho; Leo Liberti (Discret. Appl. Math., 2019)

Systematic Exploration of Protein Conformational Space Using a Distance Geometry Approach. - Thérèse E. Malliavin; Antonio Mucherino; Carlile Lavor; Leo Liberti (J. Chem. Inf. Model., 2019)

A mathematical programming formulation for the Hartree-Fock problem on open-shell systems. - Leo Liberti; Carlile Lavor; Nelson Maculan (Optim. Lett., 2019)

A Primer on Quantum Computing - Franklin de Lima Marquezino; Renato Portugal; Carlile Lavor (Springer, 2019)

An Online Calculator for Qubits Based on Geometric Algebra. - Dietmar Hildenbrand; Christian Steinmetz; Rafael Alves; Jaroslav Hrdina; Carlile Lavor (CGI, 2020)

MD-jeep: a New Release for Discretizable Distance Geometry Problems with Interval Data. - Antonio Mucherino; Douglas Soares Gonçalves; Leo Liberti; Jung-Hsin Lin; Carlile Lavor; Nelson Maculan (FedCSIS, 2020)

A new algorithm for the KDMDGP subclass of Distance Geometry Problems. - Douglas Soares Gonçalves; Carlile Lavor; Leo Liberti; Michael Souza 001 (CoRR, 2020)

The K-discretization and K-incident graphs for discretizable Distance Geometry. - Germano Abud; Jorge Alencar; Carlile Lavor; Leo Liberti; Antonio Mucherino (Optim. Lett., 2020)

Preface: Special issue on distances in optimization and graphs dedicated to the memory of Michel Deza. - Antonio Mucherino; Carlile Lavor (Optim. Lett., 2020)

A constrained interval approach to the generalized distance geometry problem. - Luiz Leduíno de Salles Neto; Carlile Lavor; Weldon A. Lodwick (Optim. Lett., 2020)

Pseudo-dihedral Angles in Proteins Providing a New Description of the Ramachandran Map. - Wagner Rocha; Carlile Lavor; Leo Liberti; Thérèse E. Malliavin (GSI (2), 2021)

A New Algorithm for the KDMDGP Subclass of Distance Geometry Problems with Exact Distances. - Douglas Soares Gonçalves; Carlile Lavor; Leo Liberti; Michael Souza 001 (Algorithmica, 2021)

Improving the sampling process in the interval Branch-and-Prune algorithm for the discretizable molecular distance geometry problem. - Carlile Lavor; Michael Souza 001; Luiz Mariano Carvalho; Douglas Soares Gonçalves; Antonio Mucherino (Appl. Math. Comput., 2021)

On the optimality of finding DMDGP symmetries. - Carlile Lavor; Andrês Oliveira; Wagner Rocha; Michael Souza 001 (Comput. Appl. Math., 2021)

An impossible utopia in distance geometry. - Germano Abud; Jorge Alencar; Carlile Lavor; Leo Liberti; Antonio Mucherino (CoRR, 2021)

Orthogonality of isometries in the conformal model of the 3D space. - Carlile Lavor; Michael Souza 001; José Luis Aragón 001 (Graph. Model., 2021)

A note on the Cayley-Menger determinant and the Molecular Distance Geometry Problem. - Luiz Leduíno de Salles Neto; Carlile Lavor; Weldon A. Lodwick (Inf. Sci., 2021)

A conjecture on a continuous optimization model for the Golomb Ruler Problem. - Phillip M. Duxbury; Carlile Lavor; Luiz Leduíno de Salles Neto (RAIRO Oper. Res., 2021)

Linear and geometric algebra approaches for sphere and spherical shell intersections in Rn. - Carlile Lavor; Rafael Alves; Leandro A. F. Fernandes (Expert Syst. Appl., 2022)

Distance geometry and protein loop modeling. - Rodrigo Labiak; Carlile Lavor; Michael Souza 001 (J. Comput. Chem., 2022)

Preface: special issue on optimization in distance geometry. - Andrés D. Báez-Sánchez; Carlile Lavor; Antonio Mucherino (J. Glob. Optim., 2022)

Unassigned distance geometry and molecular conformation problems. - Phillip M. Duxbury; Carlile Lavor; Leo Liberti; Luiz Leduíno de Salles Neto (J. Glob. Optim., 2022)

A quantum approach to the discretizable molecular distance geometry problem. - Carlile Lavor; Franklin L. Marquezino; Andrês Oliveira; Renato Portugal (Quantum Inf. Process., 2022)

The Ordered Covering Problem in Distance Geometry. - Michael Souza 001; Nilton Maia; Carlile Lavor (ISBRA, 2023)

Cycle-based formulations in Distance Geometry. - Leo Liberti; Gabriele Iommazzo; Carlile Lavor; Nelson Maculan (Open J. Math. Optim., 2023)

Quantum Register Algebra: the mathematical language for quantum computing. - Jaroslav Hrdina; Dietmar Hildenbrand; Ales Návrat; Christian Steinmetz; Rafael Alves; Carlile Lavor; Petr Vasík; Ivan Eryganov (Quantum Inf. Process., 2023)

An impossible combinatorial counting method in distance geometry. - Germano Abud; Jorge Alencar; Carlile Lavor; Leo Liberti; Antonio Mucherino (Discret. Appl. Math., 2024)

A Branch-and-Bound Algorithm for the Molecular Ordered Covering Problem. - Michael Souza 001; Nilton Maia; Rômulo S. Marques; Carlile Lavor (J. Comput. Biol., 2024)

Hypercomplex Signal and Image Processing: Part 1 [From the Guest Editors]. - Nektarios A. Valous; Eckhard Hitzer; Salvatore Vitabile; Swanhild Bernstein; Carlile Lavor; Derek Abbott; Maria Elena Luna-Elizarrarás; Wilder Bezerra Lopes (IEEE Signal Process. Mag., 2024)

Hypercomplex Signal and Image Processing: Part 2 [From the Guest Editors]. - Nektarios A. Valous; Eckhard Hitzer; Salvatore Vitabile; Swanhild Bernstein; Carlile Lavor; Derek Abbott; Maria Elena Luna-Elizarrarás; Wilder Bezerra Lopes (IEEE Signal Process. Mag., 2024)

A Probabilistic Approach in the Search Space of the Molecular Distance Geometry Problem. - Rômulo S. Marques; Michael Souza 001; Fernando Batista; Miguel Gonçalves; Carlile Lavor (J. Chem. Inf. Model., 2025)