My Resume.

1. Curriculum Vitae (CV)
Ramin Ekhteiari Salmas, Ph.D.
Homepage: https://sites.google.com/site/raminekhteiari/
View citations in Google Scholar.
ORCID ID: 0000-0003-3888-5070
Researcher ID: J-6401-2016
Scopus ID: 56338023600

2. Table of Contents
Personal Data......................................................................................................................................3
Languages............................................................................................................................................3
Skills & Activities................................................................................................................................3
Application Programs........................................................................................................................3
Interests...............................................................................................................................................3
Programming Language Experience................................................................................................4
Editorial Activities..............................................................................................................................4
Education I..........................................................................................................................................4
Employment I......................................................................................................................................4
Education II........................................................................................................................................4
Employment II....................................................................................................................................4
Education III.......................................................................................................................................4
Employment III..................................................................................................................................5
Employment IV...................................................................................................................................5
Employment V....................................................................................................................................5
Employment VI...................................................................................................................................5
Publication Highlights........................................................................................................................6
Peer-reviewed Journal Papers:.........................................................................................................6
Lectures and Talks:........................................................................................................................10
Featured Collaborators:...................................................................................................................13

3. Personal Data
Name: Ramin Ekhteiari Salmas
Day of birth: 11. May 1980
Place of birth: West-Azerbaijan-Urmia
Parents: Ghahreman Ekhteiari Salmas (decedent) and Zahra Karbasi.
Address: • Istanbul Technical University, Faculty of Science,
Department of Chemistry, Physical Chemistry Division,
Ayazaga Campus, Maslak-34469, ISTANBUL / TURKEY.
&
• Bahcesehir University. School of Medicine.
Department of Biophysics. Sahrayi Cedid Mah. Batman Sok.
No:66-68 Yenisahra, Kadikoy, Istanbul, Turkey.
Email: ramin.ekhteiari@gmail.com
ekhteiarisalmas@itu.edu.tr
Homepage: https://sites.google.com/site/raminekhteiari/
Phone: +90 (212) 285 7312
Office: Computational Chemistry.
Languages
Azerbaijani, English, Persian, Turkish.
Skills & Activities
• Modeling and Docking, Cheminformatics and Computational
Chemistry, Molecular Modeling, 3-QSAR Studies, Quantum
Mechanics, Virtual Screening, Rational Drug Design, Protein
Modeling, Chemo-informatics, Molecular Dynamics Simulation,
Structure-Based Drug Design and Discovery, Programming-Code
development (Python, C++, Tcl), Conformational analysis;
ADMET applications; MM and QM applications to biological
systems; De novo receptor and Loop modeling, Professional
experience of Operating Systems Linux, UNIX.
Application
Programs
Gaussian; GAMES; GROMACS; CASTEP; CHARMM; NAMD; Amber;
Desmond; LAMMPS; AutoDock; GOLD Docking; ClusPro; HADDOCK;
ROSETTA; SCHRODINGER Molecular modeling Package (Glide, IFD;
PHASE, Macromodel; Prime, Jaguar, Maestro, etc.).
Interests
• Programming.
• Membrane proteins.
• G-protein-coupled receptors (GPCRs).
• Dopamine D2 receptor and inhibitors.
• Anti-psychotic drugs.
• Anti-cancer drugs.
• Carbonic anhydrase inhibitors.
• C-C chemokine receptor type 5 (CCR5).

4. • Antiretroviral drugs.
• PARP enzyme and inhibitors.
• HIV-1 protease and its inhibitors.
• Ion channels (hERG (the human Ether-à-go-go-Related Gene))
and Gramicidin Channels).
• KRAS/PDEδ Inhibitors as Anti Cancer compounds .
Programming
Language
Experience
C++, Python, Tcl/Tk.
Editorial Activities
List of journals for which Dr. Salmas serves as a editor:
• International Journal of Advanced Trends in Computer
Applications (IJATCA).
• Symbiosis Open Access Journals (SOJ).
Education I
06/1986 - 04/1994 Elementary School 17 shahrivar - Urmia
07/1994 - 07/1998 High School of Dr.chamran - Urmia
08/1999 - 08/2004 University Education in Chemistry
Urmia University
Employment I
03/2006 - 03/2009 Polysius Company.
Responsibilities: Project Engineer
Education II
09/2006 - 09/2008 M.Sc. in Ardabil University
Major: Physical Chemistry
Minor: Computational Chemistry
Diploma - Thesis: Investigation on non liner optical parameters of stilbazolium cation
derivatives by quantum mechanical/molecular mechanics(QM/MM)
calculation using of Ab initio and DFT methods.
Thesis advisor: Dr. Ali Hassanzadeh and Dr.Ali Shamel
Employment II
11/2008 - 09/2009 Teaching Assistant
Payame Noor University.
Education III

5. 01/2010 - 01/2015 Ph.D. in Theoretical and Computational Chemistry, Istanbul Technical
University, Faculty of science.
Thesis advisers: Prof.Dr. Mine Yurtsever, Associate Prof.Dr. Serdar Durdagi
Ph.D. Thesis "Multi-scale Modeling and Investigation of Activation Mechanisms of G
Protein-Coupled Receptors"
Employment III
01/2011 - 10/2012 Research Associate.
Responsibilities: Design of Antibacterial Silver Zeolite - Polymer Composite Via
Molecular Modelling and Simulation Methods.
Modelling of membrane zeolite and polyamide in Accelrys Materials
Studio.
Development of Molecular Dynamics and structural optimization by
employing LAMMPS code.
Development of OPLS force field for polymers.
Modelling and Molecular dynamics simulation of the gramicidin channel
in a phospholipid bilayer.
Employment IV
01/2013 - 10/2013
Responsibilities: Research Associate
Collaboration with Max Planck institute.
A research on G protein coupled receptors (GPCRs), based on in-silico
methods.
Structure of Dopamine D2 receptor (D2R) were modelled based of
comparative modelling approaches and its ligand binding site is illustrated
by long classical MD simulations. Signal transition pathway of D2R is
tracked using post-processing methods. In-addition C-C chemokine
receptor type 5 (CC5) was studied and its role in inhibition of HIV-fusion
was investigated.
10/2013 - 09/2014 Employment V
Responsibilities: Research Associate.
Department of Medical Biophysics, Trakya University, Edirne.
Inhibition mechanism of Poly (ADP-ribose) polymerase (PARP) receptors
were elucidated and novel PARP inhibitors were discovered using
combined different simulation methods.
3/2015 -
Employment VI
Responsibilities: Senior researcher
Department of Biophysics, School of Medicine, Bahcesehir University,
Istanbul, Turkey.

6. Publication Highlights
Peer-reviewed Journal Papers:
1. Oligomerization and Cooperativity in GPCRs from the Perspective of the Angiotensin
AT1 and Dopamine D2 Receptors. Serdar Durdagi, Ismail Erol, Ramin Ekhteiari Salmas,
Busecan Aksoydan, Isik Kantarcioglu. Neuroscience Letters, 2018. (Link)
2. Structural Investigation of the Dopamine-2 Receptor (D2R) Agonist Bromocriptine
Binding to Dimeric D2HighR and D2LowR States. Ramin Ekhteiari Salmas, Philip
Seeman, Matthias Stein, Serdar Durdagi. Journal of Chemical Information and Modeling,
2018. (Link)
3. Combinatorial Peptide Library Screening for Discovery of Diverse α-glucosidase
Inhibitors Using Molecular Dynamics Simulations and Binary QSAR Models. Adriano
Mollica, Gokhan Zengin, Serdar Durdagi, Ramin Ekhteiari Salmas, Giorgia Macedonio,
Azzurra Stefanucci, Marilisa Pia Dimmito, Ettore Novellino, Journal of Biomolecular
Structure and Dynamics, 2018. (Link)
4. Molecular Modeling and In vitro Approaches Towards Cholinesterase Inhibitory
Effect of Some Natural Xanthohumol, Naringenin, and Acyl Phloroglucinol
Derivatives. Ilkay Erdogan Orhan, Dariusz Jedrejek, F. Sezer Senol, Ramin Ekhteiari
Salmas, Serdar Durdagi, Iwona Kowalska, Lukasz Pecio, Wieslaw Oleszek; Phytomedicine
2018. (Link)
5. Integration of Multi-scale Molecular Modeling Approaches with Experiments for the
in silico Guided Design and Discovery of Novel hERG-Neutral Antihypertensive
Oxazalone and Imidazolone Derivatives and Analysis of Their Potential Restrictive
Effects on Cell Proliferation; Serdar Durdagi, Busecan Aksoydan, Ismail Erol, Isik
Kantarcioglu, Yavuz Ergun, Gulay Bulut, Melih Acar, Timucin Avsar, George Liapakis,
Vlasios Karageorgos, Ramin Ekhteiari Salmas, Barış Sergi, Sara Alkhatib, Gizem Turan,
Berfu Nur Yigit, Kutay Cantasir, Bahar Kurt, and Turker Kilic. European Journal of
Medicinal Chemistry 2017. (Link)
6. In vitro and in silico approaches to appraise Polygonum maritimum L. as a source of
innovative products with anti-ageing potential, Maria João Rodrigues, Sylwester
Slusarczyk, Łukasz Pecio, Adam Matowski, Ramin Ekhteiari Salmas, Serdar Durdagi,
Catarina Pereira, João Varela, Luísa Barreira and Luísa Custódio; Industrial Crops and
Products, 2017. Doi: 10.1016/j.indcrop.2017.10.046 (Link)
7. The Synthesis of Novel Sulfamides Derived from beta-Benzylphenethylamines as
Acetylcholinesterase, Butyrylcholinesterase and Carbonic Anhydrase Enzymes
Inhibitors, Akın Akıncıoğlu, Ebutalib Kocaman, Hülya Akıncıoğlu, Ramin Ekhteiari
Salmas, Serdar Durdagi, İlhami Gülçin, Claudiu T. Supuran, Süleyman Göksu, Bioorganic
Chemistry, 2017. Doi: 10.1016/j.bioorg.2017.08.012. (Link)
8. Discovery of Selective Dengue Virus Inhibitors Using Combination of Molecular
Fingerprint-Based Virtual Screening Protocols, Structure-based Pharmacophore
Model Development, Molecular Dynamics Simulations and in Vitro Studies, Shaher
Bano Mirza, Regina Ching Hua Lee, Justin Jang Hann Chu, Ramin Ekhteiari Salmas,
Thomas Mavromoustakos, Serdar Durdagi. Journal of Molecular Graphics and Modelling.
2017. Doi: 10.1016/j.jmgm.2017.08.006. (Link)
9. Structure-based Design of hERG-Neutral Antihypertensive Oxazolone and
Imidazolone Derivatives. Busecan Aksoydan, Isik Kantarcioglu, Ismail Erol, Ramin
Ekhteiari Salmas, Serdar Durdagi, Journal of Molecular Graphics and Modelling. 2017.

7. Doi: 10.1016/j.jmgm.2017.08.004. (Link)
10. A QM Protein-Ligand Investigation of Anti-psychotic Drugs with the Dopamine D2
Receptor (D2R), Ramin Ekhteiari Salmas, Yusuf Serhat Is, Serdar Durdagi, Matthias Stein,
Mine Yurtsever, Journal of Biomolecular Structure & Dynamics, 2017. Doi:
10.1080/07391102.2017.1365772. (Link)
11. Synthesis, Biological Activity and Multiscale Molecular Modeling Studies for
Coumaryl-carboxamide Derivatives as Selective Carbonic Anhydrase IX Inhibitors.
Belma Zengin Kurt, Fatih Sonmez, Serdar Durdagi, Busecan Aksoydan, Ramin Ekhteiari
Salmas, Andrea Angeli , Mustafa Kucukislamoglu, Claudiu T. Supuran. Journal of Enzyme
Inhibition and Medicinal Chemistry, 2017. Doi: 10.1080/14756366.2017.1354857. (Link)
12. Effects of Propolis, Caffeic Acid Phenethyl Ester and Pollen on Renal Injury in
Hypertensive Rat: An Experimental and Theoretical Approach, Ramin Ekhteiari
Salmas, Mehmet Fuat Gulhan, Serdar Durdagi, Engin Sahna, Huda I. Abdullah, Zeliha
Selamoglu, Cell Biochemistry and Function, June, 2017. Doi: 10.1002/cbf.3277 (Link)
13. Investigation of Chemical Interactions of Small Peptides and Vitamin Substances at
the Developed Dopamine D2 Receptor Models. Reyhan Aslancan, Busecan Aksoydan,
Isik Kantarcioglu, Ismail Erol, Ramin Ekhteiari Salmas, Serdar Durdagi. European
Psychiatry 2017 Doi: 10.1016/j.eurpsy.2017.02.369. (Link)
14. First Universal Pharmacophore Model for hERG1 K+ Channel Activators, Serdar
Durdagi, Ismail Erol, Ramin Ekhteiari Salmas, Matthew Patterson, Sergei Y. Noskov,
Journal of Molecular Graphics and Modelling. 2017. Doi: 10.1016/j.jmgm.2017.03.020.
(Link)
15. Analysis of the Glutamate Agonist LY404,039 Binding to Non-Static Dopamine
Receptor D2 Dimer Structures and Consensus Docking. Ramin Ekhteiari Salmas, Philip
Seeman, Busecan Aksoydan, Ismail Erol, Isik Kantarcioglu, Matthias Stein, Mine Yurtsever,
Serdar Durdagi, ACS Chem. Neurosci, 2017, DOI:10.1021/acschemneuro.7b00070. (Link)
16. Biochemical Changes Induced by Grapeseed Extract and Low Level Laser Therapy
Administration During Intraoral Wound Healing in Rat Liver: An Experimental and
in Silico Study, Mehmet Erman Erdemli, Ramin Ekhteiari Salmas, Serdar Durdagi, Hasan
Akgul, Mehmet Demirkol, Zeynep Aksungur and Zeliha Selamoglu, Journal of
Biomolecular Structure & Dynamics, 2017. (Link)
17. Identification of Novel Serotonin Reuptake Inhibitors Targeting Central and Allosteric
Binding Sites: A Virtual Screening and Molecular Dynamics Simulations Study. Ismail
Erol, Busecan Aksoydan, Isik Kantarcioglu, Ramin Ekhteiari Salmas, Serdar Durdagi,
Journal of Molecular Graphics and Modelling. 2017. (Link)
18. The Effects of Pollen, Propolis, and Caffeic Acid Phenethyl Ester on Tyrosine
Hydroxylase Activity and Total RNA Levels in Hypertensive Rats Caused by Nitric
Oxide Synthase Inhibition: Experimental, Docking and Molecular Dynamic Studies,
Ramin Ekhteiari Salmas, Serdar Durdagi, Mehmet Fuat Gulhan, Merve Duruyurek, Huda I.
Abdullah, Zeliha Selamoglu. Journal of Biomolecular Structure & Dynamics, 2017. (Link)
19. Synthesis, Anticholinesterase Activity and Molecular Modeling Study of Novel
Carbamate-Substituted Thymol/Carvacrol Derivatives, Belma Zengin Kurt, Isil
Gazioglu, Aydan Dag, Ramin Ekhteiari Salmas, Gulru Kayik, Serdar Durdagi, Fatih
Sonmez, Bioorganic & Medicinal Chemistry, 2016. (Link)
20. Biological Insights of the Dopaminergic Stabilizer ACR16 at the Binding Pocket of
Dopamine D2 Receptor, Ramin Ekhteiari Salmas, Philip Seeman, Busecan Aksoydan,
Matthias Stein, Mine Yurtsever, Serdar Durdagi, ACS Chem. Neurosci, 2016, DOI:

8. 10.1021/acschemneuro.6b00396. (Link)
21. Solubility profiles, hydration and desolvation of curcumin complexed with γ-
cyclodextrin and hydroxypropyl-γ-cyclodextrin, Sergey Shityakov, Ramin Ekhteiari
Salmas, Serdar Durdagi, Norbert Roewer, Carola Förster, and Jens Broscheit, Journal of
Molecular Structure, 2016, DOI: 10.1016/j.molstruc.2016.12.028. (Link)
22. Characterization, In Vivo Evaluation and Molecular Modeling of Different Propofol-
Cyclodextrin Complexes to Assess Their Drug Delivery Potential at The Blood-Brain
Barrier Level, Sergey Shityakov, Ramin Ekhteiari Salmas, Serdar Durdagi, Ellaine
Salvador, Katalin Papai, Maria Yanez-Gascon, Horacio Perez-Sanchez, Istvan Puskas,
Norbert Roewer, Carola Forster, Jens-Albert Broscheit. 2016, Journal of Chemical
Information and Modeling (ACS). DOI: 10.1021/acs.jcim.6b00215. (Link)
23. Discovery of Klotho Peptide Antagonists Against Wnt3 and Wnt3a Target Proteins
Using Combination of Protein Engineering, Protein-Protein Docking, Peptide Docking
and Molecular Dynamics Simulations, Shaher Bano Mirza, Ramin Ekhteiari Salmas, M.
Qaiser Fatmi, Serdar Durdagi. Journal of Enzyme Inhibition and Medicinal Chemistry,
2016. DOI: 10.1080/14756366.2016.1235569 (Link)
24. The Signaling Pathway of Dopamine D2 Receptor (D2R) Activation Using Normal
Mode Analysis (NMA) and the Construction of Universal Pharmacophore Models for
D2R Inhibitors. Ramin Ekhteiari Salmas, Matthias Stein, Mine Yurtsever, Philip Seeman,
Ismail Erol, Mert Mestanoglu, Serdar Durdagi. Journal of Biomolecular Structure and
Dynamics, 2016. DOI: 10.1080/07391102.2016.1206487. (Link)
25. Virtual Screening of Small Molecules Databases for Discovery of Novel PARP-1
Inhibitors: Combination of in silico and in vitro Studies, Ramin Ekhteiari Salmas, Ayhan
Unlu, Muhammet Bektaş, Mine Yurtsever, Mert Mestanoglu, Serdar Durdagi. Journal of
Biomolecular Structure and Dynamics, 2016. DOI: 10.1080/07391102.2016.1199328 (Link)
26. Acetylcholinesterase and Carbonic Anhydrase Inhibitory Properties of Novel Urea and
Sulfamide Derivatives Incorporating Dopaminergic 2-Aminotetralin Scaffolds,
Bünyamin Özgeriş, Süleyman Göksu, Leyla Polat Köse, İlhami Gülçin, Ramin Ekhteiari
Salmas, Serdar Durdagi, Ferhan Tümer, Claudiu T. Supuran. Bioorganic & Medicinal
Chemistry, April 2016 DOI: 10.1016/j.bmc.2016.04.002. (Link)
27. Virtual Screening of Eighteen Million Compounds against Dengue Virus: Combined
Molecular Docking and Molecular Dynamics Simulations Study, Shaher Bano Mirza,
Ramin Ekhteiari Salmas, M. Qaiser Fatmi, Serdar Durdagi, Journal of Molecular Graphics
and Modelling. 2016, DOI: 10.1016/j.jmgm.2016.03.008. (Link)
28. Investigation of inhibition of human glucose 6-phosphate dehydrogenase by some 99m
Tc chelators by in silico and in vitro methods, Ali Şahin, Murat Şentürk, Ramin Ekhteiari
Salmas, Serdar Durdagi, Arif Ayan, Ali Karagölge, Mert Mestanoğlu. Journal of Enzyme
Inhibition and Medicinal Chemistry, 2016. DOI: 10.1080/14756366.2016.1178735. (Link)
29. Atomistic Molecular Dynamic Simulations of Typical and Atypical Anti-psychotic
Drugs at the Dopamine D2 Receptor (D2R) Elucidates Their Inhibition Mechanism,
Ramin Ekhteiari Salmas, Mine Yurtsever, Serdar Durdagi. Journal of Biomolecular
Structure and Dynamics, 2016, DOI: 10.1080/07391102.2016.1159986. (Link)
30. Evaluation of the potential toxicity of unmodified and modified cyclodextrins on
murine blood-brain barrier endothelial cells, Sergey Shityakov, Ramin Ekhteiari Salmas,
Ellaine Salvador, Norbert Roewer, Jens Broscheit and Carola Förster. The Journal of
Toxicological Sciences (J. Toxicol. Sci.) Vol.41, No.2, 175-184, 2016. DOI:
10.2131/jts.41.175. (Link)

9. 31. Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of
human Dopamine D2 Receptor (D2R) using Computational and Experimental
Techniques, Serdar Durdagi, Ramin Ekhteiari Salmas, Matthias Stein, Mine Yurtsever,
Philip Seeman. ACS Chem. Neurosci, DOI: 10.1021/acschemneuro.5b00271. (Link)
32. Mutated Form (G52E) of Inactive Diphtheria Toxin CRM197: Molecular Simulations
Clearly Display Effect of the Mutation to NAD Binding, Ramin Ekhteiari Salmas, Mert
Mestanoglu, Ayhan Unlu, Mine Yurtsever, Serdar Durdagi, Journal of Biomolecular
Structure and Dynamics, 2015. DOI:10.1080/07391102.2015.1119060. (Link)
33. Leveraging NMR and X-ray Data of the Free Ligands to Build Better Drugs Targeting
Angiotensin II Type 1 G-Protein Coupled Receptor. Tahsin F. Kellici, Dimitrios
Ntountaniotis, Eftichia Kritsi, Maria Zervou, Panagiotis Zoumpoulakis, Constantinos
Potamitis, Serdar Durdagi, Ramin Ekhteiari Salmas, Gizem Ergun, Ebru Gokdemir, Maria
Halabalaki, Ioannis P. Gerothanassis, George Liapakis, Andreas Tzakos, Thomas
Mavromoustakos. Current Medicinal Chemistry, 2015. DOI:
10.2174/0929867323666151117122116. (Link)
34. Kinetic and docking studies of cytosolic/tumor-associated carbonic anhydrase isozymes
I, II, and IX with some hydroxylic compounds, Serdar Durdagi, Neslihan Korkmaz,
Semra Işık, Daniela Vullo, Demet Astley, Deniz Ekinci, Ramin E. Salmas, Murat Senturk &
Claudiu T. Supuran Journal of Enzyme Inhibition and Medicinal Chemistry, 2015. DOI:
10.3109/14756366.2015.1114930. (Link)
35. Carbonic anhydrase inhibitors: design, synthesis, kinetic, docking and molecular
dynamics analysis of novel glycine and phenylalanine sulphonamide derivatives, İsmail
Fidan, Ramin Ekhteiari Salmas, Mehmet Arslan, Murat Şentürkc, Serdar Durdagi, Deniz
Ekincie, Sedat Coşgun, Claudiu T. Supuran, Bioorganic & Medicinal Chemistry. 2015
(Link)
36. Fullerene-Based Inhibitors of HIV-1 Protease, T. Amanda Strom, Serdar Durdagi, Suha
Salih Ersoz, Ramin Ekhteiari Salmas, Claudiu T. Supuran, and Andrew R. Barron. Journal
of Peptide Science, 2015. (Link)
37. Protein Engineering Studies for C-C Chemokine Receptor Type 2 (CCR2), Ramin
Ekhteiari Salmas, Mine Yurtsever, Serdar Durdagi. Current Enzyme Inhibition, 11: 1, 2015,
DOI: 10.2174/1573408011666150807190410. (Link)
38. Molecular Simulations of Solved Co-crystallized X-ray Structures Identify Action
Mechanisms of PDEδ Inhibitors, Ramin Ekhteiari Salmas, Mert Mestanoglu, Mine
Yurtsever, Sergei Y Noskov, Serdar Durdag. Biophysical Journal. 2015. DOI:
http://dx.doi.org/10.1016/j.bpj.2015.08.001. (Link)
39. Investigation of Inhibition Mechanism of Chemokine Receptor CCR5 by Micro-second
Molecular Dynamics Simulations, Ramin Ekhteiari Salmas, Mine Yurtsever, Serdar
Durdagi, Scientific Reports : Nature Publishing Group, 2015. DOI:10.1038/srep13180.
(Link)
40. Discovering Novel Carbonic Anhydrase Type IX (CA IX) Inhibitors from Seven
Million Compounds Using Virtual Screening and In Vitro Analysis, Ramin Ekhteiari
Salmas, Murat Sentürk, Mine Yurtsever, Serdar Durdagi. Journal of Enzyme Inhibition and
Medicinal Chemistry. DOI: 10.3109/14756366.2015.1036049. (Link)
41. Protein Engineering Studies of Active and Inactive States of Human Dopamine D2

10. Receptor (D2R) and Investigation of Drug/Modeled Receptor Interactions, Ramin
Ekhteiari Salmas, Mine Yurtsever, Matthias Stein, Serdar Durdagi. Mol Divers, DOI
10.1007/s11030-015-9569-3. 2015. (Link)
42. In-Silico investigation of PARP-1 catalytic domains in holo and apo states and drug
design studies for high affinity PARP-1 inhibitors, Ramin Ekhteiari Salmas, Ayhan Unlu,
Mine Yurtsever, Sergei Y Noskov, Serdar Durdagi. Journal of Enzyme Inhibition and
Medicinal Chemistry, 2014. DOI: 10.3109/14756366.2015.1005011 (Link)
43. Kinetic and in silico studies of hydroxy-based inhibitors of carbonic anhydrase
isoforms I and II, Ramin Ekhteiari Salmas, Mert Mestanoglu, Serdar Durdagi, Murat
Sentürk, A. Afşin Kaya, Elif Çelenk Kaya. Journal of Enzyme Inhibition and Medicinal
Chemistry, 2014. DOI: 10.3109/14756366.2014.1003216. (Link)
44. Carbonic Anhydrase Inhibitory Properties of Novel Benzylsulfamides Using Molecular
Modelling and Experimental Studies, Süleyman Göksu, Ali Naderi, Yusuf Akbaba, Pınar
Kalın, Akın Akıncıoğlu, İlhami Gülçin, Serdar Durdagi, Ramin Ekhteiari Salmas.
Bioorganic Chemistry, 2014, Pages 75–82. DOI: 10.1016/j.bioorg.2014.07.009. (Link)
45. Elucidation of Conformational States, Dynamics and Mechanism of Binding in Human
κ-opioid Receptor Complexes, Georgios Leonis, Aggelos Avramopoulos, Ramin Ekhteiari
Salmas, Serdar Durdagi, Mine Yurtsever, Manthos G. Papadopoulos. J. Chem. Inf. Model.,
2014, 54 (8), pp 2294–2308. DOI: 10.1021/ci5002873. (Link)
46. Silver−Sodium Ion Exchange Dynamics in LTA Zeolite Membranes, Ramin Ekhteiari
Salmas, Barış Demir, Erol Yıldırım, Ahmet Sirkecioğlu, Mine Yurtsever and M. Göktuğ
Ahunbay. J. Phys. Chem. C 2013, 117, 1663−1671. DOI: 10.1021/jp311534e. (Link)
Lectures and Talks:
1. Quantum and Classical Approaches to Structure, Dynamics and Interactions of human
Dopamine D2 Receptors, 4rd International BAU Drug Design Congress, 2016, Turkey,
Istanbul.
2. Structure And Ligand-Based Design Of Herg-Neutral Antihypertensive Oxazalone And
Imidazolone Derivatives And Analysis Of Their Potential Restrictive Effects On Cell
Proliferation Using Molecular Modeling Techniques, The 11th International Conference
on Protein Stabilisation, 2016, Istanbul/Turkey. (Link)
3. Virtual Screening Of Large Database Ligands Using Molecular Simulations For The
Discovery Of Multi - Functional Novel Antihypertensive Drugs, 3rd International BAU
Drug Design Congress, 2015, Turkey, Istanbul.
4. Molecular Docking Simulations For The Discovery Of Synthetic, Semi - Synthetic And
Peptide - Based Novel Anti - Hypertensive Drug Candidates, 3rd International BAU
Drug Design Congress, 2015, Turkey, Istanbul.
5. Virtual Screening Of Known Compounds And Large Ligand Databases Against
Acetylcholinesterase - Acheas, 3rd International BAU Drug Design Congress, 2015,
Turkey, Istanbul.
6. Virtual Screening Of 10 Million Compounds Against MAO - B For The Parkinson’s
Disease, 3rd International BAU Drug Design Congress, 2015, Turkey, Istanbul.
7. Microsecond Molecular Dynamics Simulations of Chemokine Receptor CCR5 Clearly

11. Demonstrate the Inhibitory Mechanism, XI. Chemical Physics Congress, 2014, Turkey,
Istanbul.
8. Dopamin (D2) Reseptorünün Aktif ve Aktif Olmayan Konformasyonlarının Protein
Modelleme Teknikleri ile Geliştirilmesi ve Şizofreni İlaçları İle Olan Etkileşimlerinin
Aydınlatılması, Ulusal Biyofizik Kongresi 2013, Turkey, Trabzon. [Abstract]
9. Combination of in-silico Approaches on G Protein-coupled Receptors (GPCRs), 3rd
International BAU Drug Design Congress, 2015, Turkey, Istanbul.
10.Entegre Sanal Tarama Yöntemleri İle Yeni İlaç Adaylarının Keşfi, 27.th NATIONAL
BIOPHYSICS CONGRESS with International Participations (29 Septemper - 03 October)
Malatya, Turkey
11.Kolera Toksininin Üç Boyutlu Yapısının, Etkileşim Bölgelerinin ve Etki
Mekanizmasının Moleküler Dinamik Yöntemlerle İncelenmesi, 26. Ulusal Biyofizik
Kongresi kongre, 2014, Tokat, Turkey.
12.In Silico Studies on K-RAS-PDEδ Interaction Inhibition to Design Novel Anti-Cancer
Drugs, Modeling of Biomolecular Systems Interactions, Dynamics, and Allostery: Bridging
Experiments and Computations SEPTEMBER 10–14, 2014, ISTANBUL, TURKEY.
13.Surface Functionalization of Graphene Analogs and Its Effects On The Exfoliation
Behaviour and Interactions With Small Molecules: A MD Study, ECOSS-30 - 30th
European Conference on Surface Science. 2014, Turkey, Antalya.
14.Mechanistic investigation of PARP-1 bound with a novel inhibitor through in-silico
methods, XI. Chemical Physics Congress, 2014, Turkey, Istanbul.
15.Dopamin D2 reseptör antagonisti antipsikotik ilaçlar için in siliko çalışmalar, 12th
National Neuroscience Congress, May 28-31, 2014 Bahçeşehir University, Beşiktaş,
İstanbul, Turkey.
16.In silico study of approved antipsychotic drugs as D2R antagonists: Homology
modeling and docking approach, Turkey, International BAU-Drug Design Congress 2014.
17.Structural Variation of PARP-1 over Inhibitory Treatment, Holo State Definitional
from Apo Form : Approaching MD and Docking Simulation, Turkey, International BAU-
Drug Design Congress 2014. (Best presentation award)
18.Molecular Simulation of Zn+, Cu2+, NH4+, Ion-Exchange on Clinoptilolites,
International Zeolite Conference, France, 2013. [Abstract]
19.Antibacterial Activity of Polymer/Zeolite Nanocomposite Materials:A MD Study,
Turkey, BAU-Drug Design Symposium 2013.
20.Monte Carlo Simulations of HCN Adsorption in LTA zeolites, InternationalConference
on Innovations in Chemical Engineering and MedicalSciences,December 2012, Dubai,UAE.
DOI: 10.13140/2.1.1487.6803 [Link]
21.LTA Zeolitlerde Na-Ag İyon Değişimi Dinamiği, Turkey, koç university, 2012. [Abstract]
22.Diffusion of Water in Zeolites Ag-LTA, Chemical Physics Congress XTOBB University of
Economics and Technology Ankara, Turkey, October 2012. [Abstract]

12. 23.Na─Ag ion exchange dynamics in LTA zeolites, France, 12th International Conference on
Inorganic Membranes. July 2012. [Abstract]
24.Molecular simulation of Na─Ag ion exchange in zeolite A, Holland, ICOM 2011, July
26th. [Abstract]

13. Featured Collaborators:
Philip Seeman, MD., Ph.D.
University of Toronto
Pharmacology and Psychiatry Depts.
Phone: 416-486-3456
E-Mail: philip.seeman@utoronto.ca
Serdar Durdagi, Ph.D.
Bahcesehir University School of Medicine
Department of Biophysics
Istanbul, Turkey
Phone: +90-216-579-8217
Email: serdar.durdagi@bahcesehir.edu.tr
Ilkay Erdogan Orhan, Ph.D
Gazi University
Faculty of Pharmacy
Ankara Turkey
Email: iorhan@gazi.edu.tr
Zeliha Selamoglu, Ph.D
Department of Biotechnology
Omer Halisdemir University
Nigde, Campus, 51240 Turkey
Tel:+90-388-2254211
E-mail: zselamoglu@ohu.edu.tr
Matthias Stein, Ph.D.
Group Leader Molecular Simulations and
Design
Max-Planck-Institute
Magdeburg, Germany
Phone: +49-391-611-0436
Email: matthias.stein@mpi-magdeburg.mpg.de
Sergey Shityakov, M.D., Ph.D.
University Hospital Würzburg
Dept. of Anesthesia and Critical Care
Oberdürrbacher Str. 6
97080 Würzburg Germany
E-mail: Shityakov_S@ukw.de
Tel: + 49 (931) 201 - 3 00 16
Mine Yurtsever, Ph.D.
Istanbul Technical University, Faculty of
Science & Letters
Department of Chemistry
Istanbul, Turkey
Phone: +90-0212-285-3180
Email: mine@itu.edu.tr
Claudiu T. Supuran, Ph.D.
Editor-in-Chief, JEIMC
University of Florence
Neurofarba Department Via Ugo Schiff 6,
Polo Scientifico, 50019 - Sesto Fiorentino
(Firenze) Italy
E-mail: claudiu.supuran@unifi.it
Phone: +39-055-4573729/3005
Luísa Custódio, Ph.D
University of Algarve,
Center of Marine Sciences (CCMAR)
Campus de Gambelas, Faro, Portugal
Email: lcustodio@ualg.pt
Norbert Roewer, MD.
University Hospital Würzburg
Dept. of Anesthesia and Critical Care
97080 Würzburg Germany
E-Mail: AN_Direktion@ukw.de
Phone: +49 (0)931 201 - 3 00 01
Sergei Noskov, Ph.D.
University of Calgary
Department of Biological Sciences, AB,
CANADA
E-mail: snoskov@ucalgary.ca
Phone: 403 210 7971
Andrew R. Barron, Ph.D.
Rice University, USA.
Charles W. Duncan,
Jr. - Welch Chair of Chemistry
E-mail: arb@rice.edu
Phone: (713) 348-5610

14. Thomas Mavromoustakos, Ph.D.
Capodistrian University of Athens
National Capodistrian University of Athens
Phone: +30 2107274 475 and +30 2107273869
E-mail: tmavrom@chem.uoa.gr and
tmavro@eie.gr
Manthos G. Papadopoulos, Ph.D.
Institute of Biology, Greece
National Hellenic Research Foundation
E-mail: mpapad@eie.gr
Phone: +30210-7273892
Horacio Pérez-Sánchez, Ph.D.
Universidad Católica San Antonio de Murcia
(UCAM), Spain
Website: http://bio-hpc.eu
Email: hperez@ucam.edu
Carola Förster, M.D., Ph.D.
University of Wuerzburg, Bavaria, Germany
Department of Anaesthesia and Critical Care.
Tel. +49 (931) 201 - 3 00 65
E-mail: foerster_c@ukw.de