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Focused conformational sampling in proteins.
Bacci M, Langini C, Vymětal J, Caflisch A, Vitalis A. Bacci M, et al. Among authors: caflisch a. J Chem Phys. 2017 Nov 21;147(19):195102. doi: 10.1063/1.4996879. J Chem Phys. 2017. PMID: 29166086 Free article.
Library screening by fragment-based docking.
Huang D, Caflisch A. Huang D, et al. Among authors: caflisch a. J Mol Recognit. 2010 Mar-Apr;23(2):183-93. doi: 10.1002/jmr.981. J Mol Recognit. 2010. PMID: 19718684 Free article. Review.
Amyloid fibril polymorphism is under kinetic control.
Pellarin R, Schuetz P, Guarnera E, Caflisch A. Pellarin R, et al. Among authors: caflisch a. J Am Chem Soc. 2010 Oct 27;132(42):14960-70. doi: 10.1021/ja106044u. J Am Chem Soc. 2010. PMID: 20923147
Disordered binding of small molecules to Aβ(12-28).
Convertino M, Vitalis A, Caflisch A. Convertino M, et al. Among authors: caflisch a. J Biol Chem. 2011 Dec 2;286(48):41578-41588. doi: 10.1074/jbc.M111.285957. Epub 2011 Oct 3. J Biol Chem. 2011. PMID: 21969380 Free PMC article.
270 results