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Protein preferential solvation in water:glycerol mixtures

Nicolas Chéron , Margaux Naepels , Eva Pluhařová , Damien Laage
Journal of Physical Chemistry B, 2020, 124 (8), pp.1424-1437. ⟨10.1021/acs.jpcb.9b11190⟩
Journal articles hal-02409375v2

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
Chemical Physics Letters, 2009, 481 (4-6), pp.173-179. ⟨10.1016/j.cplett.2009.09.079⟩
Journal articles hal-01116184v1

A valence bond view of isocyanides' electronic structure

Romain Ramozzi , Nicolas Chéron , Benoît Braïda , Philippe C. Hiberty , Paul Fleurat-Lessard et al.
New Journal of Chemistry, 2012, 36 (5), pp.1137-1140. ⟨10.1039/C2NJ40050B⟩
Journal articles hal-01116250v1
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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.
JACS Au, 2022, 2, pp.1588 - 1595. ⟨10.1021/jacsau.2c00082⟩
Journal articles hal-03738327v1

Evidences for the Key Role of Hydrogen Bonds in Nucleophilic Aromatic Substitution Reactions

Nicolas Chéron , Laurent El Kaim , Laurence Grimaud , Paul Fleurat-Lessard
Chemistry - A European Journal, 2011, 17 (52), pp.14929-14934. ⟨10.1002/chem.201102463⟩
Journal articles istex hal-01116254v1

A qualitative failure of B3LYP for textbook organic reactions

Nicolas Chéron , Denis Jacquemin , Paul Fleurat-Lessard
Physical Chemistry Chemical Physics, 2012, 14 (19), pp.7170-7175. ⟨10.1039/C2CP40438A⟩
Journal articles hal-01116249v1
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A Hybrid Knowledge-Based and Empirical Scoring Function for Protein–Ligand Interaction: SMoG2016

Théau Debroise , Eugene I Shakhnovich , Nicolas Chéron
Journal of Chemical Information and Modeling, 2017, 57 (3), pp.584-593. ⟨10.1021/acs.jcim.6b00610⟩
Journal articles hal-02973960v1

Substituent Effects in Ugi–Smiles Reactions

Nicolas Chéron , Romain Ramozzi , Laurent El Kaim , Laurence Grimaud , Paul Fleurat-Lessard et al.
Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 2013, 117 (33), pp.8035-8042. ⟨10.1021/jp4052227⟩
Journal articles hal-01116243v1

Challenging 50 Years of Established Views on Ugi Reaction: A Theoretical Approach

Nicolas Chéron , Romain Ramozzi , Laurent El Kaim , Laurence Grimaud , Paul Fleurat-Lessard et al.
Journal of Organic Chemistry, 2012, 77 (3), pp.1361-1366. ⟨10.1021/jo2021554⟩
Journal articles hal-01116252v1
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Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations

Nicolas Chéron , Eugene I Shakhnovich
Journal of Computational Chemistry, 2017, 38 (22), pp.1941-1951. ⟨10.1002/jcc.24839⟩
Journal articles hal-02973957v1
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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 et al.
Archives of Virology, 2015, 160 (9), pp.2353-2358. ⟨10.1007/s00705-015-2495-y⟩
Journal articles hal-02973978v1
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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
Protein Science, 2016, 25 (7), pp.1332-1340. ⟨10.1002/pro.2915⟩
Journal articles hal-02973968v1
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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.
Nucleic Acids Research, 2021, 49 (18), pp.10275 - 10288. ⟨10.1093/nar/gkab796⟩
Journal articles hal-03372655v1
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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.
Journal of Physical Chemistry B, 2017, ⟨10.1021/acs.jpcb.7b03102⟩
Journal articles hal-01558260v1

Predicting New Ugi-Smiles Couplings: A Combined Experimental and Theoretical Study

Romain Ramozzi , Nicolas Chéron , Laurent El Kaim , Laurence Grimaud , Paul Fleurat-Lessard et al.
Chemistry - A European Journal, 2014, 20 (29), pp.9094-9099. ⟨10.1002/chem.201400336⟩
Journal articles istex hal-01057795v1

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
Journal of Physical Chemistry A, 2011, 115 (35), pp.10106 - 10112. ⟨10.1021/jp205909d⟩
Journal articles hal-01664774v1
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OpenGrowth: An Automated and Rational Algorithm for Finding New Protein Ligands

Nicolas Chéron , Naveen Jasty , Eugene I Shakhnovich
Journal of Medicinal Chemistry, 2016, 59 (9), pp.4171-4188. ⟨10.1021/acs.jmedchem.5b00886⟩
Journal articles hal-02973969v1
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Approche théorique de la réactivité des isonitriles en chimie organique

Nicolas Chéron
Autre. Ecole normale supérieure de lyon - ENS LYON, 2011. Français. ⟨NNT : 2011ENSL0688⟩
Theses tel-00662613v1