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The Journal of Physical Chemistry. B|January 17, 2012
Molecular origin of piezo- and pyroelectric properties in collagen investigated by molecular dynamics simulationsHarish Kumar Ravi, Fabio Simona, Jürg Hulliger, et al.Journal of Molecular Graphics & Modelling|November 9, 2004
Modeling the alpha-helix to beta-hairpin transition mechanism and the formation of oligomeric aggregates of the fibrillogenic peptide Abeta(12-28): insights from all-atom molecular dynamics simulationsFabio Simona, Guido Tiana, Ricardo A Broglia, et al.The Journal of Physical Chemistry. B|February 5, 2013
Supramolecular organization of heptapyrenotide oligomers--an in depth investigation by molecular dynamics simulationsFabio Simona, Alina L Nussbaumer, Robert Häner, et al.Plos One|November 16, 2012
Engineering tocopherol selectivity in α-TTP: a combined in vitro/in silico studyRachel E Helbling, Walter Aeschimann, Fabio Simona, et al.Protein Science : a Publication of the Protein Society|October 1, 2005
Design of HIV-1-PR inhibitors that do not create resistance: blocking the folding of single monomersRicardo A Broglia, Guido Tiana, Ludovico Sutto, et al.The Journal of Biological Chemistry|August 13, 2009
Common mechanistic features among metallo-beta-lactamases: a computational study of Aeromonas hydrophila CphA enzymeFabio Simona, Alessandra Magistrato, Matteo Dal Peraro, et al.Protein Science : a Publication of the Protein Society|December 24, 2003
Understanding the determinants of stability and folding of small globular proteins from their energeticsGuido Tiana, Fabio Simona, Giacomo M S De Mori, et al.Proteins|August 25, 2004
Beta-hairpin conformation of fibrillogenic peptides: structure and alpha-beta transition mechanism revealed by molecular dynamics simulationsIsabella Daidone, Fabio Simona, Danilo Roccatano, et al.Proceedings of the National Academy of Sciences of the United States of America|December 23, 2008
Adaptive protein evolution grants organismal fitness by improving catalysis and flexibilityPablo E Tomatis, Stella M Fabiane, Fabio Simona, et al.Pageof 1