Publications by authors named "Stephane Redon"

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Streamlined Postprocessing of NMR Structures with the Molecular Restrainer: A Universal Tool for High-Quality Protein-Ligand Models and Non-Standard Amino Acid Residues.
Jiří Mareš, Guneet Singh Tarang, Dmitriy Marin, Mehdi Mobli, Stephane Redon

Int J Mol Sci· May 2025

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Controlled-advancement rigid-body optimization of nanosystems.
Petr Popov, Sergei Grudinin, Andrii Kurdiuk, Pavel Buslaev, Stephane Redon

J Comput Chem· October 2019

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Incremental solver for orbital-free density functional theory.
François Rousse, Stéphane Redon

J Comput Chem· September 2019

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ART-RRT: As-Rigid-As-Possible search for protein conformational transition paths.
Minh Khoa Nguyen, Léonard Jaillet, Stéphane Redon

J Comput Aided Mol Des· August 2019

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Generating conformational transition paths with low potential-energy barriers for proteins.
Minh Khoa Nguyen, Léonard Jaillet, Stéphane Redon

J Comput Aided Mol Des· August 2018

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Incremental update of electrostatic interactions in adaptively restrained particle simulations.
Semeho Prince A Edorh, Stéphane Redon

J Comput Chem· July 2018

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ART-RRT: As-Rigid-As-Possible exploration of ligand unbinding pathways.
Minh Khoa Nguyen, Léonard Jaillet, Stéphane Redon

J Comput Chem· April 2018

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Single-pass incremental force updates for adaptively restrained molecular dynamics.
Krishna Kant Singh, Stephane Redon

J Comput Chem· March 2018

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IM-UFF: Extending the universal force field for interactive molecular modeling.
Léonard Jaillet, Svetlana Artemova, Stephane Redon

J Mol Graph Model· October 2017

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As-Rigid-As-Possible molecular interpolation paths.
Minh Khoa Nguyen, Léonard Jaillet, Stéphane Redon

J Comput Aided Mol Des· April 2017

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Automatic molecular structure perception for the universal force field.
Svetlana Artemova, Léonard Jaillet, Stephane Redon

J Comput Chem· May 2016

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Interactive chemical reactivity exploration.
Moritz P Haag, Alain C Vaucher, Maël Bosson, Stéphane Redon, Markus Reiher

Chemphyschem· October 2014

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Block-adaptive quantum mechanics: an adaptive divide-and-conquer approach to interactive quantum chemistry.
Maël Bosson, Sergei Grudinin, Stephane Redon

J Comput Chem· March 2013

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Adaptively restrained particle simulations.
Svetlana Artemova, Stephane Redon

Phys Rev Lett· November 2012

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Interactive quantum chemistry: a divide-and-conquer ASED-MO method.
Mäel Bosson, Caroline Richard, Antoine Plet, Sergei Grudinin, Stephane Redon

J Comput Chem· March 2012

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A comparison of neighbor search algorithms for large rigid molecules.
Svetlana Artemova, Sergei Grudinin, Stephane Redon

J Comput Chem· October 2011

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Fast construction of assembly trees for molecular graphs.
Svetlana Artemova, Sergei Grudinin, Stephane Redon

J Comput Chem· June 2011

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Comparing position and force control for interactive molecular simulators with haptic feedback.
Aude Bolopion, Barthélemy Cagneau, Stephane Redon, Stéphane Régnier

J Mol Graph Model· September 2010

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Practical modeling of molecular systems with symmetries.
Sergei Grudinin, Stephane Redon

J Comput Chem· July 2010

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Adaptive torsion-angle quasi-statics: a general simulation method with applications to protein structure analysis and design.
Romain Rossi, Mathieu Isorce, Sandy Morin, Julien Flocard, Karthik Arumugam, Stephane Redon

Bioinformatics· July 2007

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A six degree-of-freedom god-object method for haptic display of rigid bodies with surface properties.
Michael Ortega, Stephane Redon, Sabine Coquillart

IEEE Trans Vis Comput Graph· May 2007

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