| Nanomaterials in biological environment: a review of computer modelling studies AJ Makarucha, N Todorova, I Yarovsky European Biophysics Journal 40, 103-115, 2011 | 152 | 2011 |
| Surface enhanced Raman scattering artificial nose for high dimensionality fingerprinting N Kim, MR Thomas, MS Bergholt, IJ Pence, H Seong, P Charchar, ... Nature communications 11 (1), 207, 2020 | 145 | 2020 |
| DNA origami protection and molecular interfacing through engineered sequence-defined peptoids ST Wang, MA Gray, S Xuan, Y Lin, J Byrnes, AI Nguyen, N Todorova, ... Proceedings of the National Academy of Sciences 117 (12), 6339-6348, 2020 | 126 | 2020 |
| Understanding and designing the gold–bio interface: Insights from simulations P Charchar, AJ Christofferson, N Todorova, I Yarovsky Small 12 (18), 2395-2418, 2016 | 80 | 2016 |
| Systematic comparison of empirical forcefields for molecular dynamic simulation of insulin N Todorova, FS Legge, H Treutlein, I Yarovsky The Journal of Physical Chemistry B 112 (35), 11137-11146, 2008 | 79 | 2008 |
| Surface dynamics and ligand–core interactions of quantum sized photoluminescent gold nanoclusters Y Lin, P Charchar, AJ Christofferson, MR Thomas, N Todorova, MM Mazo, ... Journal of the American Chemical Society 140 (51), 18217-18226, 2018 | 77 | 2018 |
| Surface presentation of functional peptides in solution determines cell internalization efficiency of TAT conjugated nanoparticles N Todorova, C Chiappini, M Mager, B Simona, II Patel, MM Stevens, ... Nano Letters 14 (9), 5229-5237, 2014 | 77 | 2014 |
| Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations N Todorova, AJ Makarucha, NDM Hine, AA Mostofi, I Yarovsky PLoS computational biology 9 (12), e1003360, 2013 | 70 | 2013 |
| Electromagnetic-field effects on structure and dynamics of amyloidogenic peptides N Todorova, A Bentvelzen, NJ English, I Yarovsky The Journal of Chemical Physics 144 (8), 2016 | 63 | 2016 |
| Exploring the folding free energy landscape of insulin using bias exchange metadynamics N Todorova, F Marinelli, S Piana, I Yarovsky The journal of physical chemistry B 113 (11), 3556-3564, 2009 | 61 | 2009 |
| A structural model for apolipoprotein C-II amyloid fibrils: experimental characterization and molecular dynamics simulations CL Teoh, CLL Pham, N Todorova, A Hung, CN Lincoln, E Lees, YH Lam, ... Journal of molecular biology 405 (5), 1246-1266, 2011 | 51 | 2011 |
| Facet-dependent interactions of islet amyloid polypeptide with gold nanoparticles: Implications for fibril formation and peptide-induced lipid membrane disruption ST Wang, Y Lin, N Todorova, Y Xu, M Mazo, S Rana, V Leonardo, ... Chemistry of Materials 29 (4), 1550-1560, 2017 | 41 | 2017 |
| H2S dissociation on the Fe (1 0 0) surface: An ab initio molecular dynamics study MJS Spencer, N Todorova, I Yarovsky Surface science 602 (8), 1547-1553, 2008 | 41 | 2008 |
| Single-step homogeneous immunoassays utilizing epitope-tagged gold nanoparticles: on the mechanism, feasibility, and limitations H Andresen, M Mager, M Griessner, P Charchar, N Todorova, N Bell, ... Chemistry of Materials 26 (16), 4696-4704, 2014 | 38 | 2014 |
| Identifying the coiled-coil triple helix structure of β-peptide nanofibers at atomic resolution AJ Christofferson, ZS Al-Garawi, N Todorova, J Turner, MP Del Borgo, ... ACS nano 12 (9), 9101-9109, 2018 | 37 | 2018 |
| Effects of size and functionalization on the structure and properties of graphene oxide nanoflakes: an in silico investigation E Peng, N Todorova, I Yarovsky ACS omega 3 (9), 11497-11503, 2018 | 36 | 2018 |
| Effects of forcefield and sampling method in all-atom simulations of inherently disordered proteins: Application to conformational preferences of human amylin E Peng, N Todorova, I Yarovsky PLoS One 12 (10), e0186219, 2017 | 30 | 2017 |
| Electromagnetic field modulates aggregation propensity of amyloid peptides N Todorova, A Bentvelzen, I Yarovsky The Journal of Chemical Physics 152 (3), 2020 | 28 | 2020 |
| An active site inhibitor induces conformational penalties for ACE2 recognition by the spike protein of SARS-CoV-2 BJ Williams-Noonan, N Todorova, K Kulkarni, MI Aguilar, I Yarovsky The Journal of Physical Chemistry B 125 (10), 2533-2550, 2021 | 27 | 2021 |
| Ab initio study of S dynamics on iron surfaces N Todorova, MJS Spencer, I Yarovsky Surface science 601 (3), 665-671, 2007 | 23 | 2007 |
