Creator/Author/Editor: Sezer, Deniz


Oruç, Tuğçe and Küçük, Sami Emre and Sezer, Deniz (2016) 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). pp. 24511-24525. ISSN 1463-9076 (Print) 1463-9084 (Online)

Halbmair, Karin and Seikowski, Jan and Tkach, Igor and Höbartner, Claudia and Sezer, Deniz and Bennati, Marina (2016) High-resolution measurement of long-range distances in RNA: pulse EPR spectroscopy with TEMPO-labeled nucleotides. Chemical Science, 7 (5). pp. 3172-3180. ISSN 2041-6520 (Print) 2041-6539 (Online)

Küçük, Sami Emre and Sezer, Deniz (2016) Multiscale computational modeling of C-13 DNP in liquids. Physical Chemistry Chemical Physics, 18 (14). pp. 9353-9357. ISSN 1463-9076 (Print) 1463-9084 (Online)

Prisner, Thomas and Denysenkov, Vasyl and Sezer, Deniz (2016) Liquid state DNP at high magnetic fields: instrumentation, experimental results and atomistic modelling by molecular dynamics simulations. Journal of Magnetic Resonance, 264 . pp. 68-77. ISSN 1090-7807 (Print) 1096-0856 (Online)


Küçük, Sami Emre and Biktagirov, Timur and Sezer, Deniz (2015) Carbon and proton overhauser DNP from MD simulations and ab initio calculations: TEMPOL in acetone. Physical Chemistry Chemical Physics, 17 (38). pp. 24874-24884. ISSN 1463-9076 (Print) 1463-9084 (Online)

Küçük, Sami Emre and Neugebauer, Petr and Prisner, Thomas F. and Sezer, Deniz (2015) Molecular simulations for dynamic nuclear polarization in liquids: a case study of TEMPOL in acetone and DMSO. Physical Chemistry Chemical Physics, 17 (9). pp. 6618-6628. ISSN 1463-9076 (Print) 1463-9084 (Online)


Sezer, Deniz and Roux, Benoit (2014) Markov state and diffusive stochastic models in electron spin resonance. In: Bowman, Gregory R. and Pande, Vijay S. and Noe, Frank, (eds.) An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation. Advances in Experimental Medicine and Biology (797). Springer Science+Business Media, Dordrecht, pp. 115-138. ISBN 978-94-007-7605-0 (Print) 978-94-007-7606-7 (Online)


Sezer, Deniz (2013) Rationalizing Overhauser DNP of nitroxide radicals in water through MD simulations. (Accepted/In Press)

Sezer, Deniz (2013) 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). pp. 526-540. ISSN 1463-9076


Sezer, Deniz and Sigurdsson, Snorri Th. (2011) Simulating electron spin resonance spectra of macromolecules labeled with two dipolar-coupled nitroxide spin labels from trajectories. Physical Chemistry Chemical Physics, 13 (28). pp. 12785-12797. ISSN 1463-9076

This list was generated on Sun Feb 26 07:03:05 2017 +03.