Jean-Rémy Marchand
Affiliations: | 2013- | Biochemistry | Universität Zürich, Zürich, ZH, Switzerland |
2013-2013 | Pharmacy | Università di Perugia |
Area:
Molecular docking, high-throughput docking, molecular dynamics, scoring function, computational biochemistry, computational chemistry, computational structural biologyWebsite:
www.biochem-caflisch.uzh.chGoogle:
"Jean-Rémy Marchand"Mean distance: (not calculated yet)
Parents
Sign in to add mentorAntonio Macchiarulo | research assistant | 2013-2013 | (Chemistry Tree) |
Amedeo Caflisch | grad student | 2013- | (Chemistry Tree) |
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Publications
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Dalle Vedove A, Cazzanelli G, Batiste L, et al. (2022) Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Medicinal Chemistry Letters. 13: 1434-1443 |
Marchand JR, Pirard B, Ertl P, et al. (2021) CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities. Journal of Computer-Aided Molecular Design |
Marchand JR, Knehans T, Caflisch A, et al. (2020) An ABSINTH-Based Protocol for Predicting Binding Affinities Between Proteins and Small Molecules. Journal of Chemical Information and Modeling |
Marchand JR, Caflisch A. (2018) In silico fragment-based drug design with SEED. European Journal of Medicinal Chemistry. 156: 907-917 |
Dalle Vedove A, Spiliotopoulos D, D'Agostino VG, et al. (2018) Structural Analysis of Small Molecule Binding to the BAZ2A and BAZ2B Bromodomains. Chemmedchem |
Marchand JR, Vedove AD, Lolli G, et al. (2017) Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. Journal of Chemical Information and Modeling |
Spiliotopoulos D, Zhu J, Wamhoff EC, et al. (2017) Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorganic & Medicinal Chemistry Letters |
Marchand JR, Lolli G, Caflisch A. (2016) Derivatives of 3-amino-2-methylpyridine as BAZ2B Bromodomain Ligands: in silico Discovery and in crystallo Validation. Journal of Medicinal Chemistry |
Roos M, Pradère U, Ngondo RP, et al. (2016) A Small-Molecule Inhibitor of Lin28. Acs Chemical Biology |
Marchand JR, Caflisch A. (2015) Binding Mode of Acetylated Histones to Bromodomains: Variations on a Common Motif. Chemmedchem. 10: 1327-33 |