Biblio
Found 6 results
Filters: Keyword is molecular dynamics simulations and Author is Caflisch, A. [Clear All Filters]
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2023. Decrypting Integrins by mixed-solvent molecular dynamics simulations. Journal of Chemical Information and Modeling. 63:3878–3891.
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2012. Complexity in protein folding: Simulation meets experiment. Current Physical Chemistry. 2(1):4-11.
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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.
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2012. How does Darunavir prevent HIV-1 protease dimerization? Journal of Chemical Theory and Computation. 8(5):1786-1794.
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2010. Fast analytical continuum treatments of solvation. Modeling Solvent Environments: Applications to Simulations of Biomolecules. :209-232.
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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).