| Finding transition pathways using the string method with swarms of trajectories AC Pan, D Sezer, B Roux The journal of physical chemistry B 112 (11), 3432-3440, 2008 | 387 | 2008 |
| Parametrization, molecular dynamics simulation, and calculation of electron spin resonance spectra of a nitroxide spin label on a polyalanine α-helix D Sezer, JH Freed, B Roux The journal of physical chemistry B 112 (18), 5755-5767, 2008 | 138 | 2008 |
| Liquid state DNP using a 260 GHz high power gyrotron V Denysenkov, MJ Prandolini, M Gafurov, D Sezer, B Endeward, ... Physical Chemistry Chemical Physics 12 (22), 5786-5790, 2010 | 135 | 2010 |
| Multifrequency electron spin resonance spectra of a spin-labeled protein calculated from molecular dynamics simulations D Sezer, JH Freed, B Roux Journal of the American Chemical Society 131 (7), 2597-2605, 2009 | 96 | 2009 |
| Dynamic nuclear polarization coupling factors calculated from molecular dynamics simulations of a nitroxide radical in water D Sezer, MJ Prandolini, TF Prisner Physical chemistry chemical physics 11 (31), 6626-6637, 2009 | 96 | 2009 |
| Simulating electron spin resonance spectra of nitroxide spin labels from molecular dynamics and stochastic trajectories D Sezer, JH Freed, B Roux The Journal of chemical physics 128 (16), 2008 | 73 | 2008 |
| PELDOR spectroscopy reveals preorganization of the neomycin-responsive riboswitch tertiary structure I Krstic, O Frolow, D Sezer, B Endeward, JE Weigand, B Suess, ... Journal of the American Chemical Society 132 (5), 1454-1455, 2010 | 69 | 2010 |
| High-resolution measurement of long-range distances in RNA: pulse EPR spectroscopy with TEMPO-labeled nucleotides K Halbmair, J Seikowski, I Tkach, C Höbartner, D Sezer, M Bennati Chemical science 7 (5), 3172-3180, 2016 | 65 | 2016 |
| Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectories D Sezer, JH Freed, B Roux The Journal of Physical Chemistry B 112 (35), 11014-11027, 2008 | 64 | 2008 |
| Liquid state DNP at high magnetic fields: Instrumentation, experimental results and atomistic modelling by molecular dynamics simulations T Prisner, V Denysenkov, D Sezer Journal of Magnetic Resonance 264, 68-77, 2016 | 56 | 2016 |
| Dynamic nuclear polarization of water by a nitroxide radical: rigorous treatment of the electron spin saturation and comparison with experiments at 9.2 Tesla D Sezer, M Gafurov, MJ Prandolini, VP Denysenkov, TF Prisner Physical Chemistry Chemical Physics 11 (31), 6638-6653, 2009 | 53 | 2009 |
| Rationalizing Overhauser DNP of nitroxide radicals in water through MD simulations D Sezer Physical Chemistry Chemical Physics 16 (3), 1022-1032, 2014 | 36 | 2014 |
| Computation of DNP coupling factors of a nitroxide radical in toluene: seamless combination of MD simulations and analytical calculations D Sezer Physical Chemistry Chemical Physics 15 (2), 526-540, 2013 | 35 | 2013 |
| Molecular simulations for dynamic nuclear polarization in liquids: a case study of TEMPOL in acetone and DMSO SE Küçük, P Neugebauer, TF Prisner, D Sezer Physical Chemistry Chemical Physics 17 (9), 6618-6628, 2015 | 22 | 2015 |
| Lipid bilayer permeation of aliphatic amine and carboxylic acid drugs: rates of insertion, translocation and dissociation from MD simulations T Oruç, SE Küçük, D Sezer Physical Chemistry Chemical Physics 18 (35), 24511-24525, 2016 | 18 | 2016 |
| Protonation kinetics compromise liposomal fluorescence assay of membrane permeation D Sezer, T Oruç The Journal of Physical Chemistry B 121 (20), 5218-5227, 2017 | 16 | 2017 |
| Multiscale computational modeling of 13 C DNP in liquids SE Küçük, D Sezer Physical Chemistry Chemical Physics 18 (14), 9353-9357, 2016 | 11 | 2016 |
| Carbon and proton Overhauser DNP from MD simulations and ab initio calculations: TEMPOL in acetone SE Küçük, T Biktagirov, D Sezer Physical Chemistry Chemical Physics 17 (38), 24874-24884, 2015 | 10 | 2015 |
| Simulating electron spin resonance spectra of macromolecules labeled with two dipolar-coupled nitroxide spin labels from trajectories D Sezer, ST Sigurdsson Physical Chemistry Chemical Physics 13 (28), 12785-12797, 2011 | 9 | 2011 |
| Markov state and diffusive stochastic models in electron spin resonance D Sezer, B Roux An Introduction to Markov State Models and Their Application to Long …, 2014 | 7 | 2014 |
