Research

Article

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, Vol.18, No.35, 24511-24525 (SCI)
Küçük, Sami Emre and Sezer, Deniz, (2016) “Multiscale computational modeling of C-13 DNP in liquids”, Physical Chemistry Chemical Physics, Vol.18, No.14, 9353-9357 (SCI)
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, Vol.17, No.38, 24874-24884 (SCI)
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, Vol.17, No.9, 6618-6628 (SCI)