Found 5 results
Filters: Keyword is molecular dynamics simulations  [Clear All Filters]
Caflisch A., Hamm P..  2012.  Complexity in protein folding: Simulation meets experiment. Current Physical Chemistry. 2(1):4-11.
Zhao H., Dong J., Lafleur K., Nevado C., Caflisch A..  2012.  Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics. ACS Medicinal Chemistry Letters. 3(10):834-838.
Huang D., Caflisch A..  2012.  How does Darunavir prevent HIV-1 protease dimerization? Journal of Chemical Theory and Computation. 8(5):1786-1794.
Marchand F., Caflisch A..  2010.  Fast analytical continuum treatments of solvation. Modeling Solvent Environments: Applications to Simulations of Biomolecules. :209-232.
Uk B., Taufer M., Stricker T., Settanni G., Cavalli A., Caflisch A..  2003.  Combining task- and data parallelism to speed up protein folding on a desktop grid platform. Proceedings of the 3rd IEEE/ACM International Symposium on Cluster Computing and the Grid (CCGrid 2003).