Challenging 50 years of established views on Ugi reaction: a theoretical approach N Chéron, R Ramozzi, LE Kaïm, L Grimaud, P Fleurat-Lessard The Journal of organic chemistry 77 (3), 1361-1366, 2012 | 177 | 2012 |
A valence bond view of isocyanides' electronic structure R Ramozzi, N Chéron, B Braïda, PC Hiberty, P Fleurat-Lessard New Journal of Chemistry 36 (5), 1137-1140, 2012 | 88 | 2012 |
A qualitative failure of B3LYP for textbook organic reactions N Chéron, D Jacquemin, P Fleurat-Lessard Physical Chemistry Chemical Physics 14 (19), 7170-7175, 2012 | 81 | 2012 |
OpenGrowth: an automated and rational algorithm for finding new protein ligands N Cheron, N Jasty, EI Shakhnovich Journal of medicinal chemistry 59 (9), 4171-4188, 2016 | 68 | 2016 |
Evidences for the key role of hydrogen bonds in nucleophilic aromatic substitution reactions N Chéron, L El Kaïm, L Grimaud, P Fleurat‐Lessard Chemistry–A European Journal 17 (52), 14929-14934, 2011 | 51 | 2011 |
A hybrid knowledge-based and empirical scoring function for protein–ligand interaction: SMoG2016 T Debroise, EI Shakhnovich, N Chéron Journal of chemical information and modeling 57 (3), 584-593, 2017 | 44 | 2017 |
Repurposing of rutin for the inhibition of norovirus replication N Chéron, C Yu, AO Kolawole, EI Shakhnovich, CE Wobus Archives of virology 160, 2353-2358, 2015 | 29 | 2015 |
Protein preferential solvation in water: Glycerol mixtures N Chéron, M Naepels, E Pluharova, D Laage The Journal of Physical Chemistry B 124 (8), 1424-1437, 2020 | 24 | 2020 |
A density functional theory study of the Nef-isocyanide reaction: mechanism, influence of parameters and scope N Chéron, L El Kaïm, L Grimaud, P Fleurat-Lessard The Journal of Physical Chemistry A 115 (35), 10106-10112, 2011 | 24 | 2011 |
Substituent effects in Ugi–Smiles reactions N Chéron, R Ramozzi, L El Kaim, L Grimaud, P Fleurat-Lessard The Journal of Physical Chemistry A 117 (33), 8035-8042, 2013 | 18 | 2013 |
Evolutionary dynamics of viral escape under antibodies stress: A biophysical model N Chéron, AWR Serohijos, JM Choi, EI Shakhnovich Protein Science 25 (7), 1332-1340, 2016 | 17 | 2016 |
Effect of sampling on BACE‐1 ligands binding free energy predictions via MM‐PBSA calculations N Chéron, EI Shakhnovich Journal of computational chemistry 38 (22), 1941-1951, 2017 | 16 | 2017 |
Dual targeting of higher-order DNA structures by azacryptands induces DNA junction-mediated DNA damage in cancer cells J Zell, K Duskova, L Chouh, M Bossaert, N Chéron, A Granzhan, S Britton, ... Nucleic Acids Research 49 (18), 10275-10288, 2021 | 14 | 2021 |
Coupled valence-bond state molecular dynamics description of an enzyme-catalyzed reaction in a non-aqueous organic solvent E Duboué-Dijon, E Pluhařová, D Domin, K Sen, AC Fogarty, N Chéron, ... The Journal of Physical Chemistry B 121 (29), 7027-7041, 2017 | 13 | 2017 |
How does microhydration impact on structure, spectroscopy and formation of disulfide radical anions? An ab initio investigation on dimethyldisulfide I Geronimo, N Chéron, P Fleurat-Lessard, É Dumont Chemical Physics Letters 481 (4-6), 173-179, 2009 | 10 | 2009 |
Click-Chemistry-Based Biomimetic Ligands Efficiently Capture G-Quadruplexes In Vitro and Help Localize Them at DNA Damage Sites in Human Cells F Rota Sperti, B Dupouy, J Mitteaux, A Pipier, M Pirrotta, N Chéron, ... JACS Au 2 (7), 1588-1595, 2022 | 8 | 2022 |
Predicting New Ugi–Smiles Couplings: A Combined Experimental and Theoretical Study R Ramozzi, N Cheron, L El Kaim, L Grimaud, P Fleurat‐Lessard Chemistry–A European Journal 20 (29), 9094-9099, 2014 | 8 | 2014 |
Approche théorique de la réactivité des isonitriles en chimie organique N Chéron Ecole normale supérieure de lyon-ENS LYON, 2011 | 3 | 2011 |
Are changes in antibiotic prophylaxis recommendations responsible for an increased risk of cefazolin allergy? N Chéron, L de Chaisemartin, S Aubert, F Laborier, P Montravers, ... Anaesthesia Critical Care & Pain Medicine 43 (2), 101349, 2024 | 1 | 2024 |
Isocyanides: An Unknown Moiety N Cheron, R Ramozzi ChemInform 45 (29), no-no, 2014 | 1 | 2014 |