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Tuzun, Nurcan Ş
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ResearcherID: N-9217-2013
URL: http://www.researcherid.com/rid/N-9217-2013
Subject: Chemistry
Keywords: computational chemistry; molecular modelling; physical chemistry; quantum mechanics; structure-activity relationship
ORCID: http://orcid.org/0000-0001-5225-3876
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This list contains papers that I have authored.

publication(s)  
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1.  Title: A DFT study on the mechanism of Rh-catalyzed competitive 1,2-versus 1,3-acyloxy migration followed by 5+1 and 4+1 cycloadditions of 1,4-enynes with CO
 Author(s): Coskun, D.; Tuzun, N. S.
 Source: Journal of Organometallic Chemistry Volume: 851 Pages: 97-103 Published: 2017
 Times Cited: 0
 DOI: 10.1016/j.jorganchem.2017.09.017
added
11-Jan-18
2.  Title: In silico design of novel hERG-neutral sildenafil-like PDE5 inhibitors
 Author(s): Kayik, G.; Tuzun, N. S.; Durdagi, S.
 Source: Journal of Biomolecular Structure & Dynamics Volume: 35 Issue: 13 Pages: 2830-2852 Published: 2017
 Times Cited: 0
 DOI: 10.1080/07391102.2016.1231634
added
11-Jan-18
3.  Title: Investigation of PDE5/PDE6 and PDE5/PDE11 selective potent tadalafil-like PDE5 inhibitors using combination of molecular modeling approaches, molecular fingerprint-based virtual screening protocols and structure-based pharmacophore development
 Author(s): Kayik, G.; Tuzun, N. S.; Durdagi, S.
 Source: Journal of Enzyme Inhibition and Medicinal Chemistry Volume: 32 Issue: 1 Pages: 311-330 Published: 2017
 Times Cited: 3
 DOI: 10.1080/14756366.2016.1250756
added
11-Jan-18
4.  Title: Mechanism of CuAAC reaction: In acetic acid and aprotic conditions
 Author(s): Ozen, C.; Tuzun, N. S.
 Source: Journal of Molecular Catalysis a-Chemical Volume: 426 Pages: 150-157 Published: 2017
 Times Cited: 2
 DOI: 10.1016/j.molcata.2016.11.010
added
11-Jan-18
5.  Title: Structural investigation of vesnarinone at the pore domains of open and open-inactivated states of hERG1 K+ channel
 Author(s): Kayik, G.; Tuzun, N. S.; Durdagi, S.
 Source: Journal of Molecular Graphics & Modelling Volume: 77 Pages: 399-412 Published: 2017
 Times Cited: 0
 DOI: 10.1016/j.jmgm.2017.08.017
added
11-Jan-18
6.  Title: A DFT Study on the Binuclear CuAAC Reaction: Mechanism in Light of New Experiments
 Author(s): Ozkilic, Y.; Tuzun, N. S.
 Source: Organometallics Volume: 35 Issue: 16 Pages: 2589-2599 Published: 2016
 Times Cited: 8
 DOI: 10.1021/acs.organomet.6b00279
added
11-Jan-18
7.  Title: Ag-catalyzed azide alkyne cycloaddition: a DFT approach
 Author(s): Boz, E.; Tuzun, N. S.
 Source: Dalton Transactions Volume: 45 Issue: 13 Pages: 5752-5764 Published: 2016
 Times Cited: 2
 DOI: 10.1039/c5dt04902d
added
11-Jan-18
8.  Title: A Quantum Mechanical Study on the Propagation Kinetics of N-methylacrylamide: Comparison With N,N-Dimethylacrylamide in Free Radical Polymerization
 Author(s): Kayik, Gulru; Tuzun, Nurcan S.
 Source: Macromolecular Theory and Simulations Volume: 24 Issue: 3 Pages: 218-231 Published: MAY 2015
 Times Cited: 0
 DOI: 10.1002/mats.201400096
added
07-Jan-16
9.  Title: Synthesis, reactions and DFT study of tropolone N,N-dimethylthiocarbamate
 Author(s): Zaim, O.; Tuzun, N. S.; Cevik, B.; et al.
 Source: Tetrahedron Volume: 71 Issue: 33 Pages: 5391-5398 Published: 2015
 Times Cited: 1
 DOI: 10.1016/j.tet.2015.05.100
added
11-Jan-18
10.  Title: A Theoretical Study On Rh(I) Catalyzed Enantioselective Conjugate Addition Reactions of Fluoroalkylated Olefins
 Author(s): Boz, E.; Haslak, Z. P.; Tuzun, N. S.; et al.
 Source: Organometallics Volume: 33 Issue: 19 Pages: 5111-5119 Published: 2014
 Times Cited: 4
 DOI: 10.1021/om401112f
added
11-Jan-18
publication(s)  
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