| Efficient calculation of charge-transfer matrix elements for hole transfer in DNA T Kubar, PB Woiczikowski, G Cuniberti, M Elstner The Journal of Physical Chemistry B 112 (26), 7937-7947, 2008 | 193 | 2008 |
| Nonadiabatic QM/MM simulations of fast charge transfer in Escherichia coli DNA photolyase PB Woiczikowski, T Steinbrecher, T Kubar, M Elstner The Journal of Physical Chemistry B 115 (32), 9846-9863, 2011 | 99 | 2011 |
| Combined density functional theory and Landauer approach for hole transfer in DNA along classical molecular dynamics trajectories PB Woiczikowski, T Kubař, R Gutiérrez, RA Caetano, G Cuniberti, ... The Journal of chemical physics 130 (21), 2009 | 99 | 2009 |
| Structural fluctuations and quantum transport through DNA molecular wires: a combined molecular dynamics and model Hamiltonian approach R Gutiérrez, R Caetano, PB Woiczikowski, T Kubar, M Elstner, G Cuniberti New Journal of Physics 12 (2), 023022, 2010 | 75 | 2010 |
| Structural stability versus conformational sampling in biomolecular systems: Why is the charge transfer efficiency in G4-DNA better than in double-stranded DNA? PB Woiczikowski, T Kubař, R Gutiérrez, G Cuniberti, M Elstner The Journal of chemical physics 133 (3), 2010 | 67 | 2010 |
| Charge transfer in model peptides: Obtaining Marcus parameters from molecular simulation A Heck, PB Woiczikowski, T Kubař, B Giese, M Elstner, TB Steinbrecher The Journal of Physical Chemistry B 116 (7), 2284-2293, 2012 | 50 | 2012 |
| Time-dependent view of sequential transport through molecules with rapidly fluctuating bridges B Popescu, PB Woiczikowski, M Elstner, U Kleinekathöfer Physical Review Letters 109 (17), 176802, 2012 | 45 | 2012 |
| Charge transfer in E. coli DNA photolyase: Understanding polarization and stabilization effects via QM/MM simulations G Lüdemann, PB Woiczikowski, T Kubar, M Elstner, TB Steinbrecher The Journal of Physical Chemistry B 117 (37), 10769-10778, 2013 | 41 | 2013 |
| Fragment orbital based description of charge transfer in peptides including backbone orbitals A Heck, PB Woiczikowski, T Kubař, K Welke, T Niehaus, B Giese, ... The Journal of Physical Chemistry B 118 (16), 4261-4272, 2014 | 23 | 2014 |
| Response of the electric conductivity of double-stranded DNA on moderate mechanical stretching stresses M Wolter, PB Woiczikowski, M Elstner, T Kubař Physical Review B 85 (7), 075101, 2012 | 22 | 2012 |
| Development and Application of Efficient Methods for the Simulation of Charge Transport in Complex Biomolecules PB Woiczikowski Karlsruhe, Karlsruher Institut für Technologie (KIT), Diss., 2011, 2011 | | 2011 |
Tomáš KubařAssistant Professor, Karlsruhe Institute of TechnologyE-mail confirmado em kit.edu
