Publications
2017
Deniz Sezer* and Tuğçe Oruç, Protonation kinetics compromise liposomal fluorescence assay of membrane permeation, The Journal of Physical Chemistry B, 121(20): 5218-27 (2017). Times cited: 5.
2016
- Tuğçe Oruç, Sami Emre Küçük and Deniz Sezer*, Lipid bilayer permeation of aliphatic amine and carboxylic acid drugs: Rates of insertion, translocation and dissociation from MD simulations, Physical Chemistry Chemical Physics, 18(35): 24511-25 (2016). Times cited: 6.
- Sami Emre Küçük and Deniz Sezer*, Multiscale computational modeling of 13C DNP in liquids, Physical Chemistry Chemical Physics, 18(14): 9353-7 (2016). Times cited: 5.
- Karin Halbmair, Jan Seikowski, Igor Tkach, Claudia Höbartner*, Deniz Sezer* and Marina Bennati*, High-resolution measurement of long-range distances in RNA: pulse EPR spectroscopy with TEMPO-labeled nucleotides, Chemical Science, 7(5): 3172-80 (2016). Times cited: 27.
- Thomas F. Prisner*, Vasyl P. Denysenkov and Deniz Sezer*, Liquid state DNP at high magnetic fields: Instrumentation, experimental results and atomistic modelling by molecular dynamics simulations, Journal of Magnetic Resonance, 264: 68-77 (2016). Times cited: 23.
2015
- Sami Emre Küçük, Timur Biktagirov and Deniz Sezer*, Carbon and proton Overhauser DNP from MD simulations and ab initio calculations: TEMPOL in acetone, Physical Chemistry Chemical Physics, 17(38): 24874-84 (2015). Times cited: 5.
- Sami Emre Küçük, Petr Neugebauer, Thomas F. Prisner and Deniz Sezer*, Molecular simulations for dynamic nuclear polarization in liquids: A case study of TEMPOL in acetone and DMSO, Physical Chemistry Chemical Physics, 17(9): 6618-28 (2015). Times cited: 8.
2014
- Deniz Sezer* and Benoit Roux*, “Markov State and Diffusive Stochastic Models in Electron Spin Resonance“, Chapter 10 in An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulations, eds. Gregory Bowman, Vijay Pande and Frank Noe, Springer 2014. Times cited: 2.
- Deniz Sezer*, Rationalizing Overhauser DNP of nitroxide radicals in water through MD simulations, Physical Chemistry Chemical Physics, 16(3): 1022-32 (2014). Times cited: 20.
2013
- Deniz Sezer*, Computation of DNP coupling factors of a nitroxide radical in toluene: Seamless combination of MD simulations and analytical calculations, Physical Chemistry Chemical Physics, 15(2): 526-40 (2013). Times cited: 22.
2011
- Deniz Sezer* and Snorri Th. Sigurdsson, Simulating electron spin resonance spectra of macromolecules labeled with two dipolar-coupled nitroxide spin labels from trajectories, Physical Chemistry Chemical Physics, 13(28): 12785-97 (2011). Times cited: 6.
2010
- Vasyl P. Denysenkov, Mark J. Prandolini, Marat Gafurov, Deniz Sezer, Burkhard Endeward and Thomas F. Prisner*, Liquid state DNP using a 260 GHz high power gyrotron, Physical Chemistry Chemical Physics, 12(22): 5786-90 (2010). Times cited: 69.
- Ivan Krstic, Olga Frolow, Deniz Sezer, Burkhard Endeward, Juila E. Weigand, Beatrix Suess, Jaochim W. Engels, and Thomas F. Prisner*, PELDOR spectroscopy reveals preorganization of the neomycin-responsive riboswitch tertiary structure, Journal of the American Chemical Society, 132(5): 1454-5 (2010). Times cited: 45.
2009
- Deniz Sezer, Marat Gafurov, Mark J. Prandolini, Vasyl P. Denysenkov, and Thomas F. Prisner*, Dynamic nuclear polarization of water by a nitroxide radical: Rigorous treatment of the electron spin saturation and comparison with experiments at 9.2 Tesla, Physical Chemistry Chemical Physics, 11(31): 6638-53 (2009). Times cited: 34.
- Deniz Sezer, Mark J. Prandolini and Thomas F. Prisner*, Dynamic nuclear polarization coupling factors calculated from molecular dynamics simulations of a nitroxide radical in water, Physical Chemistry Chemical Physics, 11(31): 6626-37 (2009). Times cited: 64.
Deniz Sezer, Jack H. Freed and Benoit Roux*, Multifrequency electron spin resonance spectra of a spin-labeled protein calculated from molecular dynamics simulations, Journal of the American Chemical Society, 131(7): 2597-605 (2009). Times cited: 54.
2008
- Deniz Sezer, Jack H. Freed and Benoit Roux*, Using Markov models to simulate electron spin resonance spectra from molecular dynamics trajectories, The Journal of Physical Chemistry B, 112(35): 11014-27 (2008). Times cited: 41.
- Deniz Sezer, Jack H. Freed and Benoit Roux*, Parametrization, molecular dynamics simulation and calculation of electron spin resonance spectra of a nitroxide spin label on a polyalanine alpha-helix, The Journal of Physical Chemistry B, 112(18): 5755-67 (2008). Times cited: 74.
- Deniz Sezer, Jack H. Freed and Benoit Roux*, Simulating electron spin resonance spectra of nitroxide spin labels from molecular dynamics and stochastic trajectories, The Journal of Chemical Physics, 128(16): 165106, pages 16 (2008). Times cited: 40.
- Albert C. Pan, Deniz Sezer and Benoit Roux*, Finding transition pathways using the string method with swarms of trajectories, The Journal of Physical Chemistry B, 112(11): 3432-40 (2008). Times cited: 211.
* Corresponding author.
Total citations: 761 (Web of Science). Updated: July 7, 2020.
Journal impact factors (2017): JACS 14.4; CS 9.06; PCCP 3.91; JPC B 3.15; JCP: 2.84; JMR 2.59.