Publications by authors named "Herve Minoux"

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Energy-based generative models for monoclonal antibodies.
Paul Pereira, Hervé Minoux, Aleksandra M Walczak, Thierry Mora

MAbs· December 2025

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Finding antibodies in cryo-EM maps with CrAI.
Vincent Mallet, Chiara Rapisarda, Hervé Minoux, Maks Ovsjanikov

Bioinformatics· May 2025

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Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states.
Zineb Belkacemi, Marc Bianciotto, Hervé Minoux, Tony Lelièvre, Gabriel Stoltz

J Chem Phys· July 2023

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Surface ID: a geometry-aware system for protein molecular surface comparison.
Saleh Riahi, Jae Hyeon Lee, Taylor Sorenson, Shuai Wei, Sven Jager, Hervé Minoux

Bioinformatics· April 2023

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Isometric Stratified Ensembles: A Partial and Incremental Adaptive Applicability Domain and Consensus-Based Classification Strategy for Highly Imbalanced Data Sets with Application to Colloidal Aggregation.
Christophe Molina, Lilia Ait-Ouarab, Hervé Minoux

J Chem Inf Model· April 2022

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Contact Map Fingerprints of Protein-Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics.
Marc Bianciotto, Paraskevi Gkeka, Daria B Kokh, Rebecca C Wade, Hervé Minoux

J Chem Theory Comput· October 2021

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Protein loops with multiple meta-stable conformations: A challenge for sampling and scoring methods.
Amélie Barozet, Marc Bianciotto, Marc Vaisset, Thierry Siméon, Hervé Minoux

Proteins· February 2021

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Scaffold-Constrained Molecular Generation.
Maxime Langevin, Hervé Minoux, Maximilien Levesque, Marc Bianciotto

J Chem Inf Model· December 2020

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Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems.
Paraskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani, Zineb Belkacemi, Michele Ceriotti, Hervé Minoux

J Chem Theory Comput· August 2020

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Conformational changes in antibody Fab fragments upon binding and their consequences on the performance of docking algorithms.
Amélie Barozet, Marc Bianciotto, Thierry Siméon, Hervé Minoux, Juan Cortés

Immunol Lett· August 2018

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Differential Water Thermodynamics Determine PI3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
Daniel Robinson, Thomas Bertrand, Jean-Christophe Carry, Frank Halley, Andreas Karlsson, Hervé Minoux

J Chem Inf Model· May 2016

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SAR156497, an exquisitely selective inhibitor of aurora kinases.
Jean-Christophe Carry, François Clerc, Hervé Minoux, Laurent Schio, Jacques Mauger

J Med Chem· January 2015

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Cytoplasmic STAT3 represses autophagy by inhibiting PKR activity.
Shensi Shen, Mireia Niso-Santano, Sandy Adjemian, Tetsuo Takehara, Shoaib Ahmad Malik, Hervé Minoux

Mol Cell· December 2012

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Engineering protein therapeutics: predictive performances of a structure-based virtual affinity maturation protocol.
Michael Oberlin, Romano Kroemer, Vincent Mikol, Hervé Minoux, Erdogan Tastan

J Chem Inf Model· August 2012

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Tricyclic series of heat shock protein 90 (Hsp90) inhibitors part I: discovery of tricyclic imidazo[4,5-c]pyridines as potent inhibitors of the Hsp90 molecular chaperone.
François Vallée, Chantal Carrez, Fabienne Pilorge, Alain Dupuy, Annick Parent, Hervé Minoux

J Med Chem· October 2011

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An electrostatic basis for the stability of thermophilic proteins.
Brian N Dominy, Hervé Minoux, Charles L Brooks

Proteins· October 2004

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