Understanding the influence of hydrogen bonding and diisocyanate symmetry on the morphology and properties of segmented polyurethanes and polyureas: computational and … S Sami, E Yildirim, M Yurtsever, E Yurtsever, E Yilgor, I Yilgor, GL Wilkes
Polymer 55 (18), 4563-4576, 2014
103 2014 A DFT study of polymerization mechanisms of indole M Yurtsever, E Yurtsever
Polymer 43 (22), 6019-6025, 2002
75 2002 Bosonic helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations E Coccia, E Bodo, F Marinetti, FA Gianturco, E Yildrim, M Yurtsever, ...
The Journal of chemical physics 126 (12), 124319, 2007
53 2007 Molecular dynamics simulation of water diffusion in MFI-type zeolites MU Arı, MG Ahunbay, M Yurtsever, A Erdem-Senatalar
The Journal of Physical Chemistry B 113 (23), 8073-8079, 2009
47 2009 Binding interactions of dopamine and apomorphine in D2High and D2Low states of human dopamine D2 receptor using computational and experimental techniques S Durdagi, RE Salmas, M Stein, M Yurtsever, P Seeman
ACS chemical neuroscience 7 (2), 185-195, 2016
36 2016 Microsolvation of Li+ in Small He Clusters. Li+ Hen C Di Paola, F Sebastianelli, E Bodo, I Baccarelli, FA Gianturco, ...
Journal of chemical theory and computation 1 (5), 1045-1054, 2005
34 2005 Effect of intersegmental interactions on the morphology of segmented polyurethanes with mixed soft segments: A coarse-grained simulation study E Yildirim, M Yurtsever, GL Wilkes, I Yilgör
Polymer 90, 204-214, 2016
33 2016 Tetrameric Iridium Hydride‐Rich Clusters Formed under Hydrogenation Conditions Y Xu, MA Celik, AL Thompson, H Cai, M Yurtsever, B Odell, JC Green, ...
Angewandte Chemie International Edition 48 (3), 582-585, 2009
32 2009 A self-healing and highly stretchable polyelectrolyte hydrogel via cooperative hydrogen bonding as a superabsorbent polymer E Su, M Yurtsever, O Okay
Macromolecules 52 (9), 3257-3267, 2019
31 2019 Investigation of inhibition mechanism of chemokine receptor CCR5 by micro-second molecular dynamics simulations RE Salmas, M Yurtsever, S Durdagi
Scientific reports 5 (1), 1-12, 2015
31 2015 Bosonic helium clusters doped by alkali metal cations: interaction forces and analysis of their most stable structures F Marinetti, E Coccia, E Bodo, FA Gianturco, E Yurtsever, M Yurtsever, ...
Theoretical Chemistry Accounts 118 (1), 53-65, 2007
28 2007 Multiscale modeling of the morphology and properties of segmented silicone-urea copolymers E Yildirim, M Yurtsever, E Yurtsever, I Yilgor, E Yilgor
Journal of Inorganic and Organometallic Polymers and Materials 22 (3), 604-616, 2012
26 2012 Structural studies of polypyrroles: II. a Monte Carlo growth approach to the branch formation E Yurtsever, O Esentürk, HÖ Pamuk, M Yurtsever
Synthetic metals 98 (3), 229-236, 1999
26 1999 The role of diisocyanate and soft segment on the intersegmental interactions in urethane and urea based segmented copolymers: a DFT study E Yildirim, M Yurtsever
Computational and Theoretical Chemistry 1035, 28-38, 2014
25 2014 Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions RE Salmas, M Yurtsever, M Stein, S Durdagi
Molecular diversity 19 (2), 321-332, 2015
24 2015 Elucidation of conformational states, dynamics, and mechanism of binding in human κ-opioid receptor complexes G Leonis, A Avramopoulos, RE Salmas, S Durdagi, M Yurtsever, ...
Journal of chemical information and modeling 54 (8), 2294-2308, 2014
24 2014 Silver–Sodium ion exchange dynamics in LTA zeolite membranes R Ekhteiari Salmas, B Demir, E Yıldırım, A Sirkecioglu, M Yurtsever, ...
The journal of physical chemistry C 117 (4), 1663-1671, 2013
24 2013 Microsolvation of Li+ in bosonic helium clusters. I. Many-body effects on the structures of the small aggregates F Sebastianelli, E Bodo, I Baccarelli, C Di Paola, FA Gianturco, ...
Computational materials science 35 (3), 261-267, 2006
24 2006 Structural studies of polypyrroles: I. An ab-initio evaluation of bonding through α and β carbons M Yurtsever, E Yurtsever
Synthetic Metals 98 (3), 221-227, 1999
24 1999 Ab initio quantum dynamics with very weak van der Waals interactions: Structure and stability of small E Bodo, F Sebastianelli, FA Gianturco, E Yurtsever, M Yurtsever
The Journal of chemical physics 120 (19), 9160-9166, 2004
23 2004 