On the computation of protein backbones by using artificial backbones of hydrogens

DOI10.1007/S10898-010-9584-YzbMath1219.90209OpenAlexW1984522181WikidataQ62562186 ScholiaQ62562186MaRDI QIDQ540709

Antonio Mucherino, Leo Liberti, Nelson F. Maculan, Carlile C. Lavor

Publication date: 3 June 2011

Published in: Journal of Global Optimization (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10898-010-9584-y

zbMATH Keywords

combinatorial optimizationdistance geometrybranch and prunehydrogen atomsprotein molecules

Mathematics Subject Classification ID

Programming involving graphs or networks (90C35) Applications of mathematical programming (90C90) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (15)

The interval branch-and-prune algorithm for the discretizable molecular distance geometry problem with inexact distances ⋮ The discretizable distance geometry problem ⋮ Recent advances on the discretizable molecular distance geometry problem ⋮ Recent advances on the interval distance geometry problem ⋮ On a Relationship Between Graph Realizability and Distance Matrix Completion ⋮ The interval ordering problem ⋮ On the number of realizations of certain Henneberg graphs arising in protein conformation ⋮ Minimal NMR distance information for rigidity of protein graphs ⋮ Recent results on assigned and unassigned distance geometry with applications to protein molecules and nanostructures ⋮ Assigned and unassigned distance geometry: applications to biological molecules and nanostructures ⋮ On the estimation of unknown distances for a class of Euclidean distance matrix completion problems with interval data ⋮ Preface: Special issue dedicated to distance geometry ⋮ Discretization orders for distance geometry problems ⋮ The discretizable molecular distance geometry problem ⋮ Preface

Uses Software

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• MD-jeep
• Xplor-NIH

Cites Work

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• A Distributed SDP Approach for Large-Scale Noisy Anchor-Free Graph Realization with Applications to Molecular Conformation
• LAPACK Users' Guide
• Global Continuation for Distance Geometry Problems
• Large-Scale Molecular Optimization from Distance Matrices by a D.C. Optimization Approach
• Computational Experience with the Molecular Distance Geometry Problem
• MD-jeep: An Implementation of a Branch and Prune Algorithm for Distance Geometry Problems

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