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Computational Structural Biology

Biblio

Found 4 results
Filters: Author is Xu, M.  [Clear All Filters]
2016
Xu M., Unzue A., Dong J., Spiliotopoulos D., Nevado C., Caflisch A..  2016.  Discovery of CREBBP bromodomain inhibitors by high-throughput docking and hit optimization guided by molecular dynamics. Journal of Medicinal Chemistry. 59(4):1340-1349.
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.
Xu M., Caflisch A., Hamm P..  2016.  Protein structural memory influences ligand binding mode(s) and unbinding rates. Journal of Chemical Theory and Computation. 12(3):1393-1399.
2015
Blöchliger N., Xu M., Caflisch A..  2015.  Peptide binding to a PDZ domain by electrostatic steering via nonnative salt bridges. Biophysical Journal. 108(9):2362-2370.

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