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A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations

PloS one, 2015-04, Vol.10 (4), p.e0121092-e0121092

2015

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Correlated conformational dynamics of the human GluN1-GluN2A type N-methyl-D-aspartate (NMDA) receptor

Journal of molecular modeling, 2021-06, Vol.27 (6), p.162-162, Article 162

2021

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Investigation of Structural and Antibacterial Properties of WS2‑Doped ZnO Nanoparticles

ACS omega, 2024-01, Vol.9 (3), p.4037-4049

2024

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Modelling of C-terminal tail of human STING and its interaction with tank-binding kinase 1

Turkish journal of biology, 2022-01, Vol.46 (1), p.69-81

2022

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Discovery of new azoles with potent activity against Candida spp. and Candida albicans biofilms through virtual screening

European journal of medicinal chemistry, 2019-10, Vol.179, p.634-648

2019

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Antifungal screening and in silico mechanistic studies of an in‐house azole library

Chemical biology & drug design, 2019-09, Vol.94 (5), p.1944-1955

2019

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Dynamic Linear Response Theory for Conformational Relaxation of Proteins

The journal of physical chemistry. B, 2009-08, Vol.113 (31), p.10859-10869

2009

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The neural γ2α1β2α1β2 gamma amino butyric acid ion channel receptor: structural analysis of the effects of the ivermectin molecule and disulfide bridges

Journal of molecular modeling, 2018-08, Vol.24 (8), p.1-15, Article 206

2018

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Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics

Journal of chemical theory and computation, 2013-03, Vol.9 (3), p.1320-1327

2013

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Langevin dynamics of molecules with internal rigid fragments in the harmonic regime

The Journal of chemical physics, 2007-09, Vol.127 (10), p.104109-104109

2007

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Sustainable production of formic acid from CO2 by a novel immobilized mutant formate dehydrogenase

Separation and purification technology, 2023-03, Vol.309, p.123090, Article 123090

2023

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Investigation of Structural and Antibacterial Properties of WS 2 -Doped ZnO Nanoparticles

ACS omega, 2024-01, Vol.9 (3), p.4037

2024

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The neural γ 2 α 1 β 2 α 1 β 2 gamma amino butyric acid ion channel receptor: structural analysis of the effects of the ivermectin molecule and disulfide bridges

Journal of molecular modeling, 2018-07, Vol.24 (8), p.206

2018

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Synthesis, biological evaluation and molecular docking studies of bis-chalcone derivatives as xanthine oxidase inhibitors and anticancer agents

Bioorganic chemistry, 2019-10, Vol.91, p.103149-103149, Article 103149

2019

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Protein Homology Modeling in the Low Sequence Similarity Regime

Black Sea Journal of Engineering and Science, 2024-03, Vol.7 (2), p.165-174

ESSIZ, Sebnem

2024

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Newly synthesized 6-substituted piperazine/phenyl-9-cyclopentyl containing purine nucleobase analogs act as potent anticancer agents and induce apoptosis via inhibiting Src in hepatocellular carcinoma cells

RSC medicinal chemistry, 2023-12, Vol.14 (12), p.2658-2676

2023

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Synthesis of New Imidazo[1,2‐a]pyridine Triazole Hybrid Molecules as Potential Apoptotic Antitumor Agents

ChemistrySelect (Weinheim), 2024-02, Vol.9 (8), p.n/a

2024

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Newly synthesized 6-substituted piperazine/phenyl-9-cyclopentyl containing purine nucleobase analogs act as potent anticancer agents and induce apoptosis inhibiting Src in hepatocellular carcinoma cells

RSC medicinal chemistry, 2023-12, Vol.14 (12), p.2658-2676

2023

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A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations

PloS one, 2015-04, Vol.10 (4)

2015

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Long Time Scale Dynamics of Molecules With Internal Rigid Fragments

Biophysical journal, 2010-01, Vol.98 (3), p.27a-27a

2010

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New azole derivatives showing antimicrobial effects and their mechanism of antifungal activity by molecular modeling studies

European journal of medicinal chemistry, 2017-04, Vol.130, p.124-138

2017

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Langevin dynamics of molecules with internal rigid fragmentsin the harmonic regime

The Journal of chemical physics, 2007-09, Vol.127 (10), p.104109-104109-14

2007

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A rigid-body Newtonian propagation scheme based on instantaneous decomposition into rotation and translation blocks

The Journal of chemical physics, 2006-04, Vol.124 (14), p.144116-144116-11

2006

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Corrigendum to “Discovery of new azoles with potent activity against Candida spp. and Candida albicans biofilms through virtual screening” [Eur. J. Med. Chem. 179 (2019) 634–648]

European journal of medicinal chemistry, 2020-03, Vol.190, p.112130-112130, Article 112130

2020

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Coarse-grained techniques to study dynamics of long-time scale conformational changes of proteins

Essiz Gokhan, Sebnem

2009

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A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations

Correlated conformational dynamics of the human GluN1-GluN2A type N-methyl-D-aspartate (NMDA) receptor

Investigation of Structural and Antibacterial Properties of WS2‑Doped ZnO Nanoparticles

Modelling of C-terminal tail of human STING and its interaction with tank-binding kinase 1

Discovery of new azoles with potent activity against Candida spp. and Candida albicans biofilms through virtual screening

Antifungal screening and in silico mechanistic studies of an in‐house azole library

Dynamic Linear Response Theory for Conformational Relaxation of Proteins

The neural γ2α1β2α1β2 gamma amino butyric acid ion channel receptor: structural analysis of the effects of the ivermectin molecule and disulfide bridges

Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics

Langevin dynamics of molecules with internal rigid fragments in the harmonic regime

Sustainable production of formic acid from CO2 by a novel immobilized mutant formate dehydrogenase

Investigation of Structural and Antibacterial Properties of WS 2 -Doped ZnO Nanoparticles

The neural γ 2 α 1 β 2 α 1 β 2 gamma amino butyric acid ion channel receptor: structural analysis of the effects of the ivermectin molecule and disulfide bridges

Synthesis, biological evaluation and molecular docking studies of bis-chalcone derivatives as xanthine oxidase inhibitors and anticancer agents

Protein Homology Modeling in the Low Sequence Similarity Regime

Newly synthesized 6-substituted piperazine/phenyl-9-cyclopentyl containing purine nucleobase analogs act as potent anticancer agents and induce apoptosis via inhibiting Src in hepatocellular carcinoma cells

Synthesis of New Imidazo[1,2‐a]pyridine Triazole Hybrid Molecules as Potential Apoptotic Antitumor Agents

Newly synthesized 6-substituted piperazine/phenyl-9-cyclopentyl containing purine nucleobase analogs act as potent anticancer agents and induce apoptosis inhibiting Src in hepatocellular carcinoma cells

A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations

Long Time Scale Dynamics of Molecules With Internal Rigid Fragments

New azole derivatives showing antimicrobial effects and their mechanism of antifungal activity by molecular modeling studies

Langevin dynamics of molecules with internal rigid fragmentsin the harmonic regime

A rigid-body Newtonian propagation scheme based on instantaneous decomposition into rotation and translation blocks

Corrigendum to “Discovery of new azoles with potent activity against Candida spp. and Candida albicans biofilms through virtual screening” [Eur. J. Med. Chem. 179 (2019) 634–648]

Coarse-grained techniques to study dynamics of long-time scale conformational changes of proteins

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