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1

Silver–Sodium Ion Exchange Dynamics in LTA Zeolite Membranes

Ekhteiari Salmas, Ramin, Demir, Barış, Yıldırım, Erol, Sirkecioğlu, Ahmet, Yurtsever, Mine, Ahunbay, M. Göktuğ

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.85 MB

english, 2013

2

Understanding the influence of hydrogen bonding and diisocyanate symmetry on the morphology and properties of segmented polyurethanes and polyureas: Computational and experimental study

Sami, Selim, Yildirim, Erol, Yurtsever, Mine, Yurtsever, Ersin, Yilgor, Emel, Yilgor, Iskender, Wilkes, Garth L.

Journal:

Year:

2014

Language:

english

File:

PDF, 5.89 MB

english, 2014

3

Investigation of Inhibition Mechanism of Chemokine Receptor CCR5 by Micro-second Molecular Dynamics Simulations

Salmas, Ramin Ekhteiari, Yurtsever, Mine, Durdagi, Serdar

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 2.43 MB

english, 2015

4

Temperature-dependent changes in the hydrogen bonded hard segment network and microphase morphology in a model polyurethane: Experimental and simulation studies

Yildirim, Erol, Yurtsever, Mine, Yilgör, Emel, Yilgör, Iskender, Wilkes, Garth L.

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

2017

Language:

english

File:

PDF, 1.11 MB

english, 2017

5

Novel MAO-B Hit Inhibitors Using Multidimensional Molecular Modeling Approaches and Application of Binary QSAR Models for Prediction of their Therapeutic Activity and Toxic Effects

Is, Yusuf Serhat, Durdagi, Serdar, Aksoydan, Busecan, Yurtsever, Mine

Journal:

ACS Chemical Neuroscience

Year:

2018

Language:

english

File:

PDF, 3.71 MB

english, 2018

6

Elucidation of binding interactions and mechanism of Fludarabine with dsDNA via multispectroscopic and molecular docking studies

Şenel, Pelin, Agar, Soykan, Sayin, V. Oyku, Altay, Filiz, Yurtsever, Mine, Gölcü, Ayşegül

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Year:

2019

Language:

english

File:

PDF, 3.01 MB

english, 2019

7

A quantum mechanical approach to electrochemical behavior of spirochromics

Mine Yurtsever, Belkis Ustamehmetoglu, A. Sezai Sarac, A. Mannschreck

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 189 KB

english, 1999

8

Structural Effects in the Addition–Fragmentation Reaction of Allylic Onium Salts

Adem Tekin, Mine Yurtsever, Yusuf Yagci

Journal:

Macromolecular Theory and Simulations

Year:

2002

Language:

english

File:

PDF, 308 KB

english, 2002

9

Tetrameric Iridium Hydride-Rich Clusters Formed under Hydrogenation Conditions

Yingjian Xu, Mehmet A. Celik, Amber L. Thompson, Hairong Cai, Mine Yurtsever, Barbara Odell, Jennifer C. Green, D. Michael P. Mingos, John M. Brown

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 472 KB

english, 2009

10

Tetrameric Iridium Hydride-Rich Clusters Formed under Hydrogenation Conditions

Yingjian Xu, Mehmet A. Celik, Amber L. Thompson, Hairong Cai, Mine Yurtsever, Barbara Odell, Jennifer C. Green, D. Michael P. Mingos, John M. Brown

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 472 KB

english, 2009

11

Microphase Separation of Phenylene Oligomers with Polymeric Side Chains: A Dissipative Particle Dynamics Study

Erol Yıldırım, Mine Yurtsever, Burcu Kenarlı, A. Levent Demirel

Journal:

Macromolecular Theory and Simulations

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

12

A theoretical approach to the formation mechanism of diphenyldithieno[3,2-b:2′,3′-d]thiophene from 1,8-diketone, 4,5-bis(benzoylmethylthio)thiophene: a DFT study

Cihan Ozen, Mine Yurtsever, Turan Ozturk

Journal:

Year:

2011

Language:

english

File:

PDF, 688 KB

english, 2011

13

A DFT study of polymerization mechanisms of indole

Mine Yurtsever, Ersin Yurtsever

Journal:

Year:

2002

Language:

english

File:

PDF, 519 KB

english, 2002

14

QSAR study on antibacterial and antifungal activities of some 3,4-disubstituted-1,2,4-oxa(thia)-diazole-5(4 H)-ones(thiones) using physicochemical, quantumchemical and structural parameters

Ömer Geban, Hamide Ertepinar, Mine Yurtsever, Seçkin Özden, Fatma Gümüs

Journal:

European Journal of Medicinal Chemistry

Year:

1999

Language:

english

File:

PDF, 49 KB

english, 1999

15

Spectroscopic and theoretical investigation of capillary-induced keto–enol tautomerism of phenacyl benzoylpyridinium-type photoinitiators

Nihan Yonet, Niyazi Bicak, Mine Yurtsever, Yusuf Yagci

Journal:

Polymer International

Year:

2007

Language:

english

File:

PDF, 428 KB

english, 2007

16

Intermolecular interactions in nitrogen-containing aromatic systems

Berkay Sütay, Adem Tekin, Mine Yurtsever

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 533 KB

english, 2012

17

Multiscale Modeling of the Morphology and Properties of Segmented Silicone-Urea Copolymers

Erol Yildirim, Mine Yurtsever, Ersin Yurtsever, Iskender Yilgor, Emel Yilgor

Journal:

Journal of Inorganic and Organometallic Polymers and Materials

Year:

2012

Language:

english

File:

PDF, 1.31 MB

english, 2012

18

A comparative study on the efficiencies of polyethylene compatibilizers by using theoretical methods

Erol Yildirim, Mine Yurtsever

Journal:

Journal of Polymer Research

Year:

2012

Language:

english

File:

PDF, 851 KB

english, 2012

19

A theoretical approach to the polymerization of N-pyrrolyl ethyl vinyl ether

Mine Yurtsever, Levent Toppare, Yusuf Yağci

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 339 KB

english, 1998

20

Structural studies of polypyrroles: II. A Monte Carlo growth approach to the branch formation

Ersin Yurtsever, Okan Esentürk, H. Önder Pamuk, Mine Yurtsever

Journal:

Synthetic Metals

Year:

1999

Language:

english

File:

PDF, 660 KB

english, 1999

21

Structural studies of polypyrroles: I. An ab-initio evaluation of bonding through α and β carbons

Mine Yurtsever, Ersin Yurtsever

Journal:

Synthetic Metals

Year:

1999

Language:

english

File:

PDF, 281 KB

english, 1999

22

Dependence of the optical absorption and Na+binding energies of coumarin-crown ethers on the size and attachment position of ether ring: density functional investigation

Esra Kasapbasi, Mine Yurtsever

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 266 KB

english, 2013

23

Molecular Dynamics Simulation of Water Diffusion in MFI-Type Zeolites

Arı, Meral U., Ahunbay, M. Göktuğ, Yurtsever, Mine, Erdem-Şenatalar, Ayşe

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.32 MB

english, 2009

24

Theoretical approach to the structural, electronic, and morphological properties of poly(ɛ-caprolactone) grafted polypyrroles

Erol Yildirim, Gokhan Erciyes, Mine Yurtsever

Journal:

Macromolecular Research

Year:

2013

Language:

english

File:

PDF, 3.30 MB

english, 2013

25

The role of diisocyanate and soft segment on the intersegmental interactions in urethane and urea based segmented copolymers: A DFT study

Yildirim, Erol, Yurtsever, Mine

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 3.04 MB

english, 2014

26

Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human κ-Opioid Receptor Complexes

Leonis, Georgios, Avramopoulos, Aggelos, Salmas, Ramin Ekhteiari, Durdagi, Serdar, Yurtsever, Mine, Papadopoulos, Manthos G.

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 3.14 MB

english, 2014

27

Structural Defects in Polythiophenes: Monte Carlo Simulations with Quantum Mechanical Growth Probabilities

Yurtsever, Mine, Yurtsever, Ersin

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

28

Metal-Catalyzed Cyclization Reactions of Carbonyl Ylides: Synthesis and DFT Study of Mechanisms

Celik, Mehmet A., Yurtsever, Mine, Tüzün, Nurcan Ş., Güngör, Füsun Ş., Sezer, Özkan, Anaç, Olcay

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 571 KB

english, 2007

29

Molecular Dynamics Simulation of Model Lipid Membranes: Structural Effects of Impurities

Yurtsever, Mine

Journal:

Molecular Simulation

Year:

2001

Language:

english

File:

PDF, 455 KB

english, 2001

30

A case of Acremonium strictum peritonitis

Gamze Sener, Asli, Yucesoy, Mine, Senturkun, Seckin, Afsar, Ilhan, Gul Yurtsever, Sureyya, Turk, Meral

Journal:

Medical Mycology

Year:

2008

Language:

english

File:

PDF, 83 KB

english, 2008

31

A post-HF study on the interaction of iodine with small polyaromatic hydrocarbons

Sütay, Berkay, Yurtsever, Mine, Yurtsever, Ersin

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

32

A QSPR Study on the Physical Properties of Substituted Polypyrroles and Poly(paraphenylenes)

Yildirim, Erol, Aksoy, Duygu, Tuzun, Nurcan Senyurt, Yurtsever, Mine

Journal:

Designed Monomers & Polymers

Year:

2011

Language:

english

File:

PDF, 1.24 MB

english, 2011

33

MORPHOLOGICAL PROPERTIES OF PYRROLE AND PHENYLENE ROD–COIL DIBLOCK COPOLYMERS BY DISSIPATIVE PARTICLE DYNAMICS

YILDIRIM, EROL, YURTSEVER, MINE

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 1.31 MB

english, 2013

34

Modeling and protein engineering studies of active and inactive states of human dopamine D2 receptor (D2R) and investigation of drug/receptor interactions

Salmas, Ramin Ekhteiari, Yurtsever, Mine, Stein, Matthias, Durdagi, Serdar

Journal:

Molecular Diversity

Year:

2015

Language:

english

File:

PDF, 3.95 MB

english, 2015

35

Discovering novel carbonic anhydrase type IX (CA IX) inhibitors from seven million compounds using virtual screening and in vitro analysis

Salmas, Ramin Ekhteiari, Senturk, Murat, Yurtsever, Mine, Durdagi, Serdar

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 1.07 MB

english, 2015

36

In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors

Salmas, Ramin Ekhteiari, Unlu, Ayhan, Yurtsever, Mine, Noskov, Sergei Y., Durdagi, Serdar

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 1.12 MB

english, 2015

37

Molecular Simulations of Solved Co-crystallized X-ray Structures Identify Action Mechanisms of PDEδ Inhibitors

Salmas, Ramin Ekhteiari, Mestanoglu, Mert, Yurtsever, Mine, Noskov, Sergei Y., Durdagi, Serdar

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 1.11 MB

english, 2015

38

Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of human Dopamine D2 Receptor (D2R) using Computational and Experimental Techniques

Durdagi, Serdar, Salmas, Ramin Ekhteiari, Stein, Matthias, Yurtsever, Mine, Seeman, Philip

Journal:

ACS Chemical Neuroscience

Year:

2015

Language:

english

File:

PDF, 8.16 MB

english, 2015

39

Mutated form (G52E) of inactive diphtheria toxin CRM197: molecular simulations clearly display effect of the mutation to NAD binding

Salmas, Ramin Ekhteiari, Mestanoglu, Mert, Unlu, Ayhan, Yurtsever, Mine, Durdagi, Serdar

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2016

Language:

english

File:

PDF, 2.12 MB

english, 2016

40

Atomistic Molecular Dynamic Simulations of Typical and Atypical Anti-psychotic Drugs at the Dopamine D2 Receptor (D2R) Elucidates Their Inhibition Mechanism

Salmas, Ramin Ekhteiari, Yurtsever, Mine, Durdagi, Serdar

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2016

Language:

english

File:

PDF, 3.62 MB

english, 2016

41

Virtual Screening of Small Molecules Databases for Discovery of Novel PARP-1 Inhibitors: Combination of in silico and in vitro Studies

Ekhteiari Salmas, Ramin, Unlu, Ayhan, Bektaş, Muhammet, Yurtsever, Mine, Mestanoglu, Mert, Durdagi, Serdar

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2016

Language:

english

File:

PDF, 2.98 MB

english, 2016

42

A post-HF study on the halogen bonding interaction of pyrene with diatomic halogen molecules

Sütay, Berkay, Yurtsever, Mine, Yurtsever, Ersin

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 737 KB

english, 2016

43

The Signaling Pathway of Dopamine D2 Receptor (D2R) Activation Using Normal Mode Analysis (NMA) and the Construction of Universal Pharmacophore Models for D2R Inhibitors

Ekhteiari Salmas, Ramin, Stein, Matthias, Yurtsever, Mine, Seeman, Philip, Erol, Ismail, Mestanoglu, Mert, Durdagi, Serdar

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2016

Language:

english

File:

PDF, 2.26 MB

english, 2016

44

Biological Insights of the Dopaminergic Stabilizer ACR16 at the Binding Pocket of Dopamine D2 Receptor

Ekhteiari Salmas, Ramin, Seeman, Philip, Aksoydan, Busecan, Stein, Matthias, Yurtsever, Mine, Durdagi, Serdar

Journal:

ACS Chemical Neuroscience

Year:

2017

Language:

english

File:

PDF, 5.43 MB

english, 2017

45

Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking

Salmas, Ramin Ekhteiari, Seeman, Philip, Aksoydan, Busecan, Erol, Ismail, Kantarcioglu, Isik, Stein, Matthias, Yurtsever, Mine, Durdagi, Serdar

Journal:

ACS Chemical Neuroscience

Year:

2017

Language:

english

File:

PDF, 3.50 MB

english, 2017

46

Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies

Sütay, Berkay, Yurtsever, Mine

Journal:

Journal of Molecular Modeling

Year:

2017

Language:

english

File:

PDF, 8.98 MB

english, 2017

47

A QM Protein-Ligand Investigation of Anti-psychotic Drugs with the Dopamine D2 Receptor (D2R)

Ekhteiari Salmas, Ramin, Serhat Is, Yusuf, Durdagi, Serdar, Stein, Matthias, Yurtsever, Mine

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2017

Language:

english

File:

PDF, 3.88 MB

english, 2017

48

Experimental and MD simulation study on the physical and mechanical properties of organically modified montmorillonite clay and compatibilized linear low density polyethylene nanocomposites

Yildirim, Erol, Yurtsever, Mine, Eriman, Bülent, Uyanik, Nurseli

Journal:

Journal of Applied Polymer Science

Year:

2018

Language:

english

File:

PDF, 1.17 MB

english, 2018

49

Theoretical design of high-mobility bithiophene imide (BTI) derivative polymeric semiconductors

Sütay, Berkay, Onaran, Gulsah, Yildirim, Erol, Yurtsever, Mine

Journal:

Computational Materials Science

Year:

2019

Language:

english

File:

PDF, 1.91 MB

english, 2019

50

A coarse grained simulation study on the morphology of ABA triblock copolymers

Onaran, Gulsah, Yurtsever, Mine, Yilgor, Iskender

Journal:

Computational Materials Science

Year:

2019

Language:

english

File:

PDF, 3.05 MB

english, 2019

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