Biblio

Found 9 results
Filters: Author is Caflisch, A. and Keyword is bromodomains  [Clear All Filters]
2018
Dalle Vedove A., Spiliotopoulos D., D'Agostino V.G, Marchand J.-R., Unzue A., Nevado C., Lolli G., Caflisch A..  2018.  Structural analysis of small molecule binding to the BAZ2A and BAZ2B bromodomains. ChemMedChem. 13(14):1479-1487.
2017
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.
Bacci M., Langini C., Vymětal J., Caflisch A., Vitalis A..  2017.  Focused conformational sampling in proteins.. Journal of Chemical Physics. 147(19):195102.
Ghayor C., Gjoksi B., Dong J., Siegenthaler B., Caflisch A., Weber F.E.  2017.  N,N dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment. Scientific Reports. 7:42108.
Spiliotopoulos D., Zhu J., Wamhoff E.-C., Deerain N., Marchand J.-R., Aretz J., Rademacher C., Caflisch A..  2017.  Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorganic & Medicinal Chemistry Letters. 27(11):2472-2478.
2016
Unzue A., Xu M., Dong J., Wiedmer L., Spiliotopoulos D., Caflisch A., Nevado C..  2016.  Fragment-based design of selective nanomolar ligands of the CREBBP bromodomain. Journal of Medicinal Chemistry. 59(4):1350-1356.
2015
Marchand J.-R., Caflisch A..  2015.  Binding mode of acetylated histones to bromodomains: Variations on a common motif. ChemMedChem. 10(8):1327-1333.
Zhao H., Caflisch A..  2015.  Molecular dynamics in drug design. European Journal of Medicinal Chemistry. 91:4-14.
2013
Magno A., Steiner S., Caflisch A..  2013.  Mechanism and kinetics of acetyl-lysine binding to bromodomains. Journal of Chemical Theory and Computation. 9(9):4225-4232.