Vitalis, A., Parker, D., Radler, F., Vargas-Rosales, P. A., Zhang, Y., Marchand, J.-R., & Caflisch, A. (2025). Parallelized tools for the preparation and curation of large libraries for virtual screening. Journal of Computational Chemistry, 46(7). https://doi.org/10.1002/jcc.70074

Vedove, D., Cazzanelli, G., Corsi, J., Sedykh, M., Batiste, L., Marchand, J.-R., … Lolli, G. (2023). Identification of BAZ2A bromodomain hit compounds. Acta Crystallographica Section A: Foundations of Crystallography, 78(X), a418-a418. https://doi.org/10.1107/S2053273322093214 (Original work published)

Dalle Vedove, A., Cazzanelli, G., Batiste, L., Marchand, J.-R., Spiliotopoulos, D., Corsi, J., … Lolli, G. (2022). Identification of a BAZ2A-bromodomain hit compound by fragment growing. ACS Medicinal Chemistry Letters, 13(9), 1434-1443. https://doi.org/10.1021/acsmedchemlett.2c00173

Marchand, J.-R., Knehans, T., Caflisch, A., & Vitalis, A. (2020). An ABSINTH-based protocol for predicting binding affinities between proteins and small molecules. Journal of Chemical Information and Modeling, 60(10), 5188-5202. https://doi.org/10.1021/acs.jcim.0c00558 (Original work published)

Marchand, J.-R., & Caflisch, A. (2018). In silico fragment-based drug design with SEED. European Journal of Medicinal Chemistry, 156, 907-917. https://doi.org/10.1016/j.ejmech.2018.07.042 (Original work published)

Dalle Vedove, A., Spiliotopoulos, D., D’Agostino, V. G., Marchand, J.-R., Unzue, A., Nevado, C., … Caflisch, A. (2018). Structural analysis of small molecule binding to the BAZ2A and BAZ2B bromodomains. ChemMedChem, 13(14), 1479-1487. https://doi.org/10.1002/cmdc.201800234 (Original work published)

Marchand, J.-R., Dalle Vedove, A., Lolli, G., & Caflisch, A. (2017). Discovery of inhibitors of four bromodomains by fragment-anchored ligand docking. Journal of Chemical Information and Modeling, 57(10), 2584-2597. https://doi.org/10.1021/acs.jcim.7b00336 (Original work published)

Spiliotopoulos, D., Zhu, J., Wamhoff, E.-C., Deerain, N., Marchand, J.-R., Aretz, J., … Caflisch, A. (2017). Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorganic & Medicinal Chemistry Letters, 27(11), 2472-2478. https://doi.org/10.1016/j.bmcl.2017.04.001 (Original work published)

Marchand, J.-R., 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, 59(21), 9919-9927. https://doi.org/10.1021/acs.jmedchem.6b01258 (Original work published)

Roos, M., Pradère, U., Ngondo, R. P., Behera, A., Allegrini, S., Civenni, G., … Hall, J. (2016). A small-molecule inhibitor of Lin28. ACS Chemical Biology, 11(10), 2773-2781. https://doi.org/10.1021/acschembio.6b00232 (Original work published)