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研究领域

Fundamental understanding of the structure and function of biomolecules and nanomaterials using computer modelling simulations.

近期论文

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Charchar, P.,Christofferson, A.,Todorova, N.,Yarovsky, I. (2016). Understanding and designing the gold-bio interface: insights from simulations In: Small, 12, 2395 - 2418 Todorova, N.,Bentvelzen, A.,English, N.,Yarovsky, I. (2016). Electromagnetic-field effects on structure and dynamics of amyloidogenic peptides In: Journal of Chemical Physics, 144, 1 - 8 Mao, Y.,Todorova, N.,Zlatic, C.,Gooley, P.,Griffin, M.,Howlett, G.,Yarovsky, I. (2016). Solution conditions affect the ability of the K30D mutation to prevent amyloid fibril formation by apolipoprotein C-II: insights from experiments and theoretical simulations In: Biochemistry, 55, 3815 - 3824 Mao, Y.,Zlatic, C.,Griffin, M.,Howlett, G.,Todorova, N.,Yarovsky, I.,Gooley, P. (2015). Hydrogen/deuterium exchange and molecular dynamics analysis of amyloid fibrils formed by a D69K charge-pair mutant of human apolipoprotein C-II In: Biochemistry: including biophysical chemistry and molecular biology, 54, 4805 - 4814 Todorova, N.,Chiappini, C.,Mager, M.,Simona, B.,Patel, I.,Stevens, M.,Yarovsky, I. (2014). Surface presentation of functional peptides in solution determines cell internalization efficiency of TAT conjugated nanoparticles In: Nano Letters, 14, 5229 - 5237 Andresen, H.,Mager, M.,Griebner, M.,Charchar, P.,Todorova, N.,Bell, N.,Theocharidis, G.,Bertazzo, S.,Yarovsky, I.,Stevens, M. (2014). Single-step homogeneous immunoassays utilizing epitope-tagged gold nanoparticles: On the mechanism, feasibility, and limitations In: Chemistry of Materials, 26, 4696 - 4704 Makarucha, A.,Todorova, N.,Yarovsky, I. (2014). Effects of graphitic nanomaterials on the dissociation pathway of amyloidogenic peptide dimer In: Proceedings of 2014 International Conference on Nanoscience and Nanotechnology (ICONN), Adelaide, Australia, 2 - 6 February 2014 Todorova, N.,Yeung, L.,Hung, A.,Yarovsky, I. (2013). "Janus" cyclic peptides: A new approach to amyloid fibril inhibition? In: PloS One, 8, 1 - 8 Todorova, N.,Makarucha, A.,Hine, N.,Mostofi, A.,Yarovsky, I. (2013). Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations In: PLoS Computational Biology, 9, 1 - 13 Griffin, M.,Yeung, L.,Hung, A.,Todorova, N.,Mok, Y.,Karas, J.,Gooley, P.,Yarovsky, I.,Howlett, G. (2012). A cyclic peptide inhibitor of ApoC-II peptide fibril formation: Mechanistic insight from NMR and molecular dynamics analysis In: Journal of Molecular Biology, 416, 642 - 655

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