Jean-Rémy Marchand - Publications

2013- Biochemistry Universität Zürich, Zürich, ZH, Switzerland 
 2013-2013 Pharmacy Università di Perugia 
Molecular docking, high-throughput docking, molecular dynamics, scoring function, computational biochemistry, computational chemistry, computational structural biology

11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Dalle Vedove A, Cazzanelli G, Batiste L, Marchand JR, Spiliotopoulos D, Corsi J, D'Agostino VG, Caflisch A, Lolli G. Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Medicinal Chemistry Letters. 13: 1434-1443. PMID 36105334 DOI: 10.1021/acsmedchemlett.2c00173  0.608
2021 Marchand JR, Pirard B, Ertl P, Sirockin F. CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities. Journal of Computer-Aided Molecular Design. PMID 34050420 DOI: 10.1007/s10822-021-00390-w  0.359
2020 Marchand JR, Knehans T, Caflisch A, Vitalis A. An ABSINTH-Based Protocol for Predicting Binding Affinities Between Proteins and Small Molecules. Journal of Chemical Information and Modeling. PMID 32897071 DOI: 10.1021/Acs.Jcim.0C00558  0.568
2018 Marchand JR, Caflisch A. In silico fragment-based drug design with SEED. European Journal of Medicinal Chemistry. 156: 907-917. PMID 30064119 DOI: 10.1016/J.Ejmech.2018.07.042  0.54
2018 Dalle Vedove A, Spiliotopoulos D, D'Agostino VG, Marchand JR, Unzue A, Nevado C, Lolli G, Caflisch A. Structural Analysis of Small Molecule Binding to the BAZ2A and BAZ2B Bromodomains. Chemmedchem. PMID 29770599 DOI: 10.1002/Cmdc.201800234  0.6
2017 Marchand JR, Vedove AD, Lolli G, Caflisch A. Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. Journal of Chemical Information and Modeling. PMID 28862840 DOI: 10.1021/Acs.Jcim.7B00336  0.596
2017 Spiliotopoulos D, Zhu J, Wamhoff EC, Deerain N, Marchand JR, Aretz J, Rademacher C, Caflisch A. Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorganic & Medicinal Chemistry Letters. PMID 28410781 DOI: 10.1016/J.Bmcl.2017.04.001  0.594
2016 Marchand JR, Lolli G, Caflisch A. Derivatives of 3-amino-2-methylpyridine as BAZ2B Bromodomain Ligands: in silico Discovery and in crystallo Validation. Journal of Medicinal Chemistry. PMID 27731638 DOI: 10.1021/Acs.Jmedchem.6B01258  0.526
2016 Roos M, Pradère U, Ngondo RP, Behera A, Allegrini S, Civenni G, Zagalak JA, Marchand JR, Menzi M, Towbin H, Scheuermann J, Neri D, Caflisch A, Catapano CV, Ciaudo C, et al. A Small-Molecule Inhibitor of Lin28. Acs Chemical Biology. PMID 27548809 DOI: 10.1021/Acschembio.6B00232  0.515
2015 Marchand JR, Caflisch A. Binding Mode of Acetylated Histones to Bromodomains: Variations on a Common Motif. Chemmedchem. 10: 1327-33. PMID 26033856 DOI: 10.1002/Cmdc.201500141  0.513
2014 Marchand JR, Carotti A, Passeri D, Filipponi P, Liscio P, Camaioni E, Pellicciari R, Gioiello A, Macchiarulo A. Investigating the allosteric reverse signalling of PARP inhibitors with microsecond molecular dynamic simulations and fluorescence anisotropy. Biochimica Et Biophysica Acta. 1844: 1765-72. PMID 25062913 DOI: 10.1016/J.Bbapap.2014.07.012  0.478
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