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Protein preferential solvation in water:glycerol mixtures
Nicolas Chéron
,
Margaux Naepels
,
Eva Pluhařová
,
Damien Laage
Article dans une revue
hal-02409375v2
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A valence bond view of isocyanides' electronic structure
Romain Ramozzi
,
Nicolas Chéron
,
Benoît Braïda
,
Philippe C. Hiberty
,
Paul Fleurat-Lessard
Article dans une revue
hal-01116250v1
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How does microhydration impact on structure, spectroscopy and formation of disulfide radical anions? An ab initio investigation on dimethyldisulfide
Inacrist Geronimo
,
Nicolas Chéron
,
Paul Fleurat-Lessard
,
Élise Dumont
Article dans une revue
istex
hal-01116184v1
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Repurposing of rutin for the inhibition of norovirus replication
Nicolas Chéron
,
Chenchen Yu
,
Abimbola O Kolawole
,
Eugene I Shakhnovich
,
Christiane E Wobus
Article dans une revue
hal-02973978v1
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Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations
Nicolas Chéron
,
Eugene I Shakhnovich
Article dans une revue
hal-02973957v1
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Click-Chemistry-Based Biomimetic Ligands Efficiently Capture G-Quadruplexes In Vitro and Help Localize Them at DNA Damage Sites in Human Cells
Francesco Rota Sperti
,
Baptiste Dupouy
,
Jérémie Mitteaux
,
Angélique Pipier
,
Marc Pirrotta
,
et al.
Article dans une revue
hal-03738327v1
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A qualitative failure of B3LYP for textbook organic reactions
Nicolas Chéron
,
Denis Jacquemin
,
Paul Fleurat-Lessard
Article dans une revue
hal-01116249v1
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Evidences for the Key Role of Hydrogen Bonds in Nucleophilic Aromatic Substitution Reactions
Nicolas Chéron
,
Laurent El Kaim
,
Laurence Grimaud
,
Paul Fleurat-Lessard
Article dans une revue
istex
hal-01116254v1
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OpenGrowth: An Automated and Rational Algorithm for Finding New Protein Ligands
Nicolas Chéron
,
Naveen Jasty
,
Eugene I Shakhnovich
Article dans une revue
hal-02973969v1
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Approche théorique de la réactivité des isonitriles en chimie organique
Nicolas Chéron
Thèse
tel-00662613v1
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A Density Functional Theory Study of the Nef-Isocyanide Reaction: Mechanism, Influence of Parameters and Scope
Nicolas Chéron
,
Laurent El Kaim
,
Laurence Grimaud
,
Paul Fleurat-Lessard
Article dans une revue
hal-01664774v1
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A Hybrid Knowledge-Based and Empirical Scoring Function for Protein–Ligand Interaction: SMoG2016
Théau Debroise
,
Eugene I Shakhnovich
,
Nicolas Chéron
Article dans une revue
hal-02973960v1
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Challenging 50 Years of Established Views on Ugi Reaction: A Theoretical Approach
Nicolas Chéron
,
Romain Ramozzi
,
Laurent El Kaim
,
Laurence Grimaud
,
Paul Fleurat-Lessard
Article dans une revue
hal-01116252v1
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Substituent Effects in Ugi–Smiles Reactions
Nicolas Chéron
,
Romain Ramozzi
,
Laurent El Kaim
,
Laurence Grimaud
,
Paul Fleurat-Lessard
Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 2013, 117 (33), pp.8035-8042. ⟨10.1021/jp4052227⟩
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hal-01116243v1
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Reversible inhibition of GluN2B-containing NMDA receptors with anin situred-shifted, photoswitchable antagonist
Chloé Geoffroy
,
Romain Berraud-Pache
,
Nicolas Chéron
,
Isabelle Mccort-Tranchepain
,
Pierre Paoletti
,
et al.
2023
Pré-publication, Document de travail
hal-04272151v1
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Dual targeting of higher-order DNA structures by azacryptands induces DNA junction-mediated DNA damage in cancer cells
Joanna Zell
,
Katerina Duskova
,
Leïla Chouh
,
Madeleine Bossaert
,
Nicolas Chéron
,
et al.
Article dans une revue
hal-03372655v1
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Evolutionary dynamics of viral escape under antibodies stress: A biophysical model
Nicolas Chéron
,
Adrian W. R. Serohijos
,
Jeong-Mo Choi
,
Eugene I Shakhnovich
Article dans une revue
hal-02973968v1
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Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent
Elise Duboue-Dijon
,
Eva Pluhařová
,
Dominik Domin
,
Kakali Sen
,
Aoife C. Fogarty
,
et al.
Article dans une revue
hal-01558260v1
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Predicting New Ugi-Smiles Couplings: A Combined Experimental and Theoretical Study
Romain Ramozzi
,
Nicolas Chéron
,
Laurent El Kaim
,
Laurence Grimaud
,
Paul Fleurat-Lessard
Article dans une revue
istex
hal-01057795v1
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