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Optimization, spectral characterization, QSAR, and molecular docking analyses of newly designed boron compounds

Structural chemistry, 2023-10, Vol.34 (5), p.1731-1742

2023

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Synthesis, computational analyses, antibacterial and antibiofilm properties of nicotinamide derivatives

Structural chemistry, 2022-08, Vol.33 (4), p.1189-1197

2022

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Research on structural, spectral (IR, UV-Vis, 1H- and 13C-NMR) and light emitting properties of triisocyano-based trinuclear Au(I) complexes

Chemical papers, 2020-08, Vol.74 (8), p.2415-2425

2020

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Investigation of anticancer properties of caffeinated complexes via computational chemistry methods

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018-03, Vol.193, p.147-155

2018

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Investigations of structural, spectral and electronic properties of enrofloxacin and boron complexes via quantum chemical calculation and molecular docking

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2019-09, Vol.220, p.117102, Article 117102

2019

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Quantum chemical investigation of levofloxacin-boron complexes: A computational approach

Journal of molecular structure, 2018-04, Vol.1158, p.57-65

2018

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Structural, Spectroscopic and Activity Calculations on Methanesulfonylhydrazone Derivative Chromium Pentacarbonyl Complexes

Journal of the Turkish Chemical Society, Section A, Chemistry, 2018-09, Vol.5 (3), p.1193-1204

2018

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Determination of structural, spectral, electronic and biological properties of tosufloxacin boron complexes and investigation of substituent effect

Journal of molecular structure, 2017-10, Vol.1146, p.191-197

2017

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Experimental and theoretical investigation of inhibition behavior of 2-((4-(dimethylamino)benzylidene)amino)benzenethiol for carbon steel in HCl solution

Corrosion science, 2021-05, Vol.184, p.109376, Article 109376

2021

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New anti-viral drugs for the treatment of COVID-19 instead of favipiravir

Journal of biomolecular structure & dynamics, 2021-12, Vol.39 (18), p.7263-7273

2021

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Computational Investigations on IR, UV-VIS and NMR Spectra of Copper(II) Phenanthroline Complexes with DFT Method

Cumhuriyet Science Journal, 2017-12, Vol.38 (4), p.661-673

2017

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Modelling studies on the investigation of non-linear optical properties of some ExnBox cyclophanes

Cumhuriyet Science Journal, 2020-06, Vol.41 (2), p.344-350

2020

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Structural, spectral, biological and antioxidant analyses of baicalin and ıts vanadium complexes: a dft study

Cumhuriyet Science Journal, 2020-03, Vol.41 (1), p.11-21

2020

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Pt-Ni@PC900 Hybrid Derived from Layered-Structure Cd-MOF for Fuel Cell ORR Activity

ACS omega, 2020-02, Vol.5 (5), p.2123-2132

2020

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Research of the substituent effect on non-linear optical properties of bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) derivatives: Molecular simulation analyses

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2019-04, Vol.212, p.380-387

Sayin, Koray

2019

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Design and in silico study of the novel coumarin derivatives against SARS-CoV-2 main enzymes

Journal of biomolecular structure & dynamics, 2022-07, Vol.40 (11), p.4905-4920

2022

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A biochemistry-oriented drug design: synthesis, anticancer activity, enzymes inhibition, molecular docking studies of novel 1,2,4-triazole derivatives

Journal of biomolecular structure & dynamics, 2024-02, Vol.42 (3), p.1220-1236

2024

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Experimental and Computational Investigation for (E)-2-hydroxy-5-(2-benzylidene) Aminobenzoic Acid Schiff Base as a Corrosion Inhibitor for Copper in Acidic Media

Iranian journal of science and technology. Transaction A, Science, 2021-04, Vol.45 (2), p.515-527

2021

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Corrigendum to “Research of the substituent effect on non-linear optical properties of bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene) hydrazine (BOPHY) derivatives: Molecular Simulation Analyses” [Spectrochim. Acta A Mol. Biomol. Spectrosc. 212 (2019) 380–387]

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2019-04, Vol.213, p.397-397

Sayin, Koray

2019

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Crystal structure, Hirshfeld surface analysis and theoretical calculations of an oxalato-bridged copper(II) complex: μ-oxalato-bis[(2,2’-bipyridine) hydrate copper(II) nitrate]

Journal of the Iranian Chemical Society, 2020-03, Vol.17 (3), p.671-685

2020

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Crystal structure, Hirshfeld surface analysis, computational and antifungal studies of dihydropyrimidines on the basis of salicylaldehyde derivatives

Journal of the Iranian Chemical Society, 2023-01, Vol.20 (1), p.109-123

2023

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Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity

Chemical physics, 2022-07, Vol.559, p.111540, Article 111540

2022

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Experimental and computational investigation of variamine blue as an inhibitor for copper in chloride solution

Journal of dispersion science and technology, 2022-04, Vol.43 (5), p.769-775

2022

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Theoretical studies on oxovanadium(IV) complexes with sterically crowded Schiff base ligands

Cumhuriyet Üniversitesi Fen : Edebiyat Fakültesi Fen Bilimleri Dergisi, 2017-02, Vol.38 (1), p.1

2017

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Experimental and Computational Investigations of Decolourization of Rhodamine B in Aqueous Solution

Hacettepe journal of biology and chemistry, 2017-12, Vol.3 (45), p.375-383

2017

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Optimization, spectral characterization, QSAR, and molecular docking analyses of newly designed boron compounds

Synthesis, computational analyses, antibacterial and antibiofilm properties of nicotinamide derivatives

Research on structural, spectral (IR, UV-Vis, 1H- and 13C-NMR) and light emitting properties of triisocyano-based trinuclear Au(I) complexes

Investigation of anticancer properties of caffeinated complexes via computational chemistry methods

Investigations of structural, spectral and electronic properties of enrofloxacin and boron complexes via quantum chemical calculation and molecular docking

Quantum chemical investigation of levofloxacin-boron complexes: A computational approach

Structural, Spectroscopic and Activity Calculations on Methanesulfonylhydrazone Derivative Chromium Pentacarbonyl Complexes

Determination of structural, spectral, electronic and biological properties of tosufloxacin boron complexes and investigation of substituent effect

Experimental and theoretical investigation of inhibition behavior of 2-((4-(dimethylamino)benzylidene)amino)benzenethiol for carbon steel in HCl solution

New anti-viral drugs for the treatment of COVID-19 instead of favipiravir

Computational Investigations on IR, UV-VIS and NMR Spectra of Copper(II) Phenanthroline Complexes with DFT Method

Modelling studies on the investigation of non-linear optical properties of some ExnBox cyclophanes

Structural, spectral, biological and antioxidant analyses of baicalin and ıts vanadium complexes: a dft study

Pt-Ni@PC900 Hybrid Derived from Layered-Structure Cd-MOF for Fuel Cell ORR Activity

Research of the substituent effect on non-linear optical properties of bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) derivatives: Molecular simulation analyses

Design and in silico study of the novel coumarin derivatives against SARS-CoV-2 main enzymes

A biochemistry-oriented drug design: synthesis, anticancer activity, enzymes inhibition, molecular docking studies of novel 1,2,4-triazole derivatives

Experimental and Computational Investigation for (E)-2-hydroxy-5-(2-benzylidene) Aminobenzoic Acid Schiff Base as a Corrosion Inhibitor for Copper in Acidic Media

Corrigendum to “Research of the substituent effect on non-linear optical properties of bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene) hydrazine (BOPHY) derivatives: Molecular Simulation Analyses” [Spectrochim. Acta A Mol. Biomol. Spectrosc. 212 (2019) 380–387]

Crystal structure, Hirshfeld surface analysis and theoretical calculations of an oxalato-bridged copper(II) complex: μ-oxalato-bis[(2,2’-bipyridine) hydrate copper(II) nitrate]

Crystal structure, Hirshfeld surface analysis, computational and antifungal studies of dihydropyrimidines on the basis of salicylaldehyde derivatives

Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity

Experimental and computational investigation of variamine blue as an inhibitor for copper in chloride solution

Theoretical studies on oxovanadium(IV) complexes with sterically crowded Schiff base ligands

Experimental and Computational Investigations of Decolourization of Rhodamine B in Aqueous Solution

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