Jean-Rémy Marchand
Jean-Rémy Marchand
Computational chemist, CADD group, Novartis NIBR
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Cited by
Cited by
A small-molecule inhibitor of Lin28
M Roos, U Pradère, RP Ngondo, A Behera, S Allegrini, G Civenni, ...
ACS chemical biology 11 (10), 2773-2781, 2016
Binding mode of acetylated histones to bromodomains: variations on a common motif
JR Marchand, A Caflisch
ChemMedChem 10 (8), 1327-1333, 2015
Discovery of inhibitors of four bromodomains by fragment-anchored ligand docking
JR Marchand, A Dalle Vedove, G Lolli, A Caflisch
Journal of chemical information and modeling 57 (10), 2584-2597, 2017
Derivatives of 3-amino-2-methylpyridine as BAZ2B bromodomain ligands: in silico discovery and in crystallo validation
JR Marchand, G Lolli, A Caflisch
Journal of Medicinal Chemistry 59 (21), 9919-9927, 2016
Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain
D Spiliotopoulos, J Zhu, EC Wamhoff, N Deerain, JR Marchand, J Aretz, ...
Bioorganic & medicinal chemistry letters 27 (11), 2472-2478, 2017
In silico fragment-based drug design with SEED
JR Marchand, A Caflisch
European journal of medicinal chemistry 156, 907-917, 2018
Investigating the allosteric reverse signalling of PARP inhibitors with microsecond molecular dynamic simulations and fluorescence anisotropy
JR Marchand, A Carotti, D Passeri, P Filipponi, P Liscio, E Camaioni, ...
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1844 (10), 1765-1772, 2014
Structural Analysis of Small‐Molecule Binding to the BAZ2A and BAZ2B Bromodomains
A Dalle Vedove, D Spiliotopoulos, VG D'Agostino, JR Marchand, A Unzue, ...
ChemMedChem 13 (14), 1479-1487, 2018
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities
JR Marchand, B Pirard, P Ertl, F Sirockin
Journal of Computer-Aided Molecular Design 35 (6), 737-750, 2021
An ABSINTH-based protocol for predicting binding affinities between proteins and small molecules
JR Marchand, T Knehans, A Caflisch, A Vitalis
Journal of chemical information and modeling 60 (10), 5188-5202, 2020
Identification of BAZ2A bromodomain hit compounds
A Dalle Vedove, G Cazzanelli, J Corsi, M Sedykh, L Batiste, JR Marchand, ...
Acta Crystallographica Section A: Foundations of Crystallography 78, a418-a418, 2023
Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing
A Dalle Vedove, G Cazzanelli, L Batiste, JR Marchand, D Spiliotopoulos, ...
ACS Medicinal Chemistry Letters 13 (9), 1434-1443, 2022
Automatic cavity identification and decomposition into subpockets with CAVIAR
JR Marchand, B Pirard, P Ertl, F Sirockin
Computational Drug Discovery: Methods Development and Applications to Bromodomains
JR Marchand
University of Zurich, 2017
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