| A mechanochemical study of the effects of compression on a Diels-Alder reaction SK Jha, K Brown, G Todde, G Subramanian The Journal of Chemical Physics 145 (7), 2016 | 25 | 2016 |
| Influence of antifreeze proteins on the ice/water interface G Todde, S Hovmoller, A Laaksonen The Journal of Physical Chemistry B 119 (8), 3407-3413, 2015 | 23 | 2015 |
| The catalytic activity of Abl1 single and compound mutations: Implications for the mechanism of drug resistance mutations in chronic myeloid leukaemia PS Georgoulia, G Todde, S Bjelic, R Friedman Biochimica et Biophysica Acta (BBA)-General Subjects 1863 (4), 732-741, 2019 | 21 | 2019 |
| Adsorption of TNT, DNAN, NTO, FOX7, and NQ onto cellulose, chitin, and cellulose triacetate. Insights from Density Functional Theory calculations G Todde, SK Jha, G Subramanian, MK Shukla Surface Science 668, 54-60, 2018 | 21 | 2018 |
| First-principles study of the interactions between graphene oxide and amine-functionalized carbon nanotube SK Jha, M Roth, G Todde, JP Buchanan, RD Moser, MK Shukla, ... The Journal of Physical Chemistry C 122 (2), 1288-1298, 2018 | 21 | 2018 |
| Inclusion of chloromethane guests affects conformation and internal dynamics of cryptophane-D host Z Takacs, T Brotin, JP Dutasta, J Lang, G Todde, J Kowalewski The Journal of Physical Chemistry B 116 (27), 7898-7913, 2012 | 20 | 2012 |
| Induced ice melting by the snow flea antifreeze protein from molecular dynamics simulations G Todde, C Whitman, S Hovmöller, A Laaksonen The Journal of Physical Chemistry B 118 (47), 13527-13534, 2014 | 18 | 2014 |
| Glucose oxidase from Penicillium amagasakiense: Characterization of the transition state of its denaturation from molecular dynamics simulations G Todde, S Hovmöller, A Laaksonen, F Mocci Proteins: Structure, Function, and Bioinformatics 82 (10), 2353-2363, 2014 | 16 | 2014 |
| Activation and inactivation of the FLT3 kinase: Pathway intermediates and the free energy of transition G Todde, R Friedman The Journal of Physical Chemistry B 123 (26), 5385-5394, 2019 | 15 | 2019 |
| Role of Stone-Wales defects on the interfacial interactions among graphene, carbon nanotubes, and Nylon 6: A first-principles study SK Jha, M Roth, G Todde, JP Buchanan, RD Moser, MK Shukla, ... The Journal of Chemical Physics 149 (5), 2018 | 14 | 2018 |
| Conformational modifications induced by internal tandem duplications on the FLT3 kinase and juxtamembrane domains G Todde, R Friedman Physical Chemistry Chemical Physics 21 (34), 18467-18476, 2019 | 12 | 2019 |
| Pattern and dynamics of FLT3 duplications G Todde, R Friedman Journal of Chemical Information and Modeling 60 (8), 4005-4020, 2020 | 10 | 2020 |
| The effect of external forces on the initial dissociation of RDX (1, 3, 5‐trinitro‐1, 3, 5‐triazine): A mechanochemical study G Todde, SK Jha, G Subramanian International Journal of Quantum Chemistry 117 (20), e25426, 2017 | 10 | 2017 |
| Influence of mutations at the proximal histidine position on the Fe–O2 bond in hemoglobin from density functional theory G Todde, S Hovmöller, A Laaksonen The Journal of Chemical Physics 144 (9), 2016 | 2 | 2016 |
| Ab initio Monte Carlo simulations of military contaminants binding to cellulose and its derivatives T Truttmann, M Roth, G Todde, M Shukla, G Subramanian ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Computational Investigation of Graphene-Carbon Nanotube-Polymer Composite S Jha, M Roth, G Todde, G Subramanian, M Shukla APS March Meeting Abstracts 2017, B31. 002, 2017 | | 2017 |
| Exploring Protein Functions by Molecular Modelling G Todde Department of Materials and Environmental Chemistry, Stockholm University, 2015 | | 2015 |
| rsc. li/pccp G Todde, R Friedman | | |
