Search Results - "Altun, Ahmet"

Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study by Altun, Ahmet, Neese, Frank, Bistoni, Giovanni

“…The local energy decomposition (LED) analysis allows for a decomposition of the accurate domain-based local pair natural orbital CCSD(T) [DLPNO-CCSD(T)] energy…”
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Extrapolation to the Limit of a Complete Pair Natural Orbital Space in Local Coupled-Cluster Calculations by Altun, Ahmet, Neese, Frank, Bistoni, Giovanni

“…The domain-based local pair natural orbital (PNO) coupled-cluster DLPNO-CCSD­(T) method allows one to perform single point energy calculations for systems with…”
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Correlated Ab Initio and Density Functional Studies on H2 Activation by FeO by Altun, Ahmet, Breidung, Jürgen, Neese, Frank, Thiel, Walter

“…The reaction FeO+ + H2 → Fe+ + H2O is a simple model for hydrogen abstraction processes in biologically important heme systems. The geometries of all relevant…”
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Design, synthesis, and anticancer activity of novel 4-thiazolidinone-phenylaminopyrimidine hybrids by Türe, Aslı, Ergül, Mustafa, Ergül, Merve, Altun, Ahmet, Küçükgüzel, İlkay

“…4-Thiazolidinones and phenylaminopyrimidines are known as anticancer agents. Imatinib is the pioneer phenylaminopyrimidine derivative kinase inhibitor, which…”
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Overcoming Drug Resistance: P-Gp Inhibitor Verapamil Enhances Temozolomide’s Antiproliferative Effect in Neuroblastoma Cells by Mustafa Karademir, Ahmet Altun

“…Neuroblastoma is one of the most common and deadly childhood solid tumors. P-glycoprotein (P-gp) pump plays a role in developing resistance to many…”
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Unveiling the complex pattern of intermolecular interactions responsible for the stability of the DNA duplex by Altun, Ahmet, Garcia-Ratés, Miquel, Neese, Frank, Bistoni, Giovanni

“…Herein, we provide new insights into the intermolecular interactions responsible for the intrinsic stability of the duplex structure of a large portion of…”
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Spectral Tuning in Visual Pigments: An ONIOM(QM:MM) Study on Bovine Rhodopsin and its Mutants by Altun, Ahmet, Yokoyama, Shozo, Morokuma, Keiji

“…We have investigated geometries and excitation energies of bovine rhodopsin and some of its mutants by hybrid quantum mechanical/molecular mechanical (QM/MM)…”
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Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes by Shaik, Sason, Kumar, Devesh, de Visser, Samuël P, Altun, Ahmet, Thiel, Walter

“…Cytochrome 450 is one of the most versatile enzymes in nature--the area has become a very active arena of research that has led to important insights and has…”
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What is the Active Species of Cytochrome P450 during Camphor Hydroxylation? QM/MM Studies of Different Electronic States of Compound I and of Reduced and Oxidized Iron−Oxo Intermediates by Altun, Ahmet, Shaik, Sason, Thiel, Walter

“…We have investigated C−H hydroxylation of camphor by Compound I (Cpd I) of cytochrome P450cam in different electronic states and by its one-electron reduced…”
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Mechanism of Spectral Tuning Going from Retinal in Vacuo to Bovine Rhodopsin and its Mutants: Multireference ab Initio Quantum Mechanics/Molecular Mechanics Studies by Altun, Ahmet, Yokoyama, Shozo, Morokuma, Keiji

“…We have investigated photoabsorption spectra of bovine rhodopsin and its mutants (E122Q and E113Q) by hybrid quantum mechanical/molecular mechanical (QM/MM)…”
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Can subthreshold micropulse yellow laser treatment change the anti-vascular endothelial growth factor algorithm in diabetic macular edema? A randomized clinical trial by Kanar, Hatice, Arsan, Aysu, Altun, Ahmet, Akı, Suat, Hacısalihoglu, Aynur

“…Purpose: To compare the efficacy of subthreshold micropulse yellow laser (SMYL) and intravitreal aflibercept injection (IAI) combination therapy with IAI…”
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A simple method for studying the molecular mechanisms of ultraviolet and violet reception in vertebrates by Yokoyama, Shozo, Tada, Takashi, Liu, Yang, Faggionato, Davide, Altun, Ahmet

“…Many vertebrate species use ultraviolet (UV) reception for such basic behaviors as foraging and mating, but many others switched to violet reception and…”
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The effect of probiotics on ıntestinal motility in an experimental short bowel model by Metin, Mehmet, Altun, Ahmet, Köylüoğlu, Gökhan

“…Abstract Purpose To investigate the effect of probiotics on spontaneous contractions of smooth muscle isolated from jejunum and ileum of rat model. Methods…”
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Epistatic adaptive evolution of human color vision by Yokoyama, Shozo, Xing, Jinyi, Liu, Yang, Faggionato, Davide, Altun, Ahmet, Starmer, William T

“…Establishing genotype-phenotype relationship is the key to understand the molecular mechanism of phenotypic adaptation. This initial step may be untangled by…”
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Color Tuning in Rhodopsins: The Origin of the Spectral Shift between the Chloride-Bound and Anion-Free Forms of Halorhodopsin by Ryazantsev, Mikhail N, Altun, Ahmet, Morokuma, Keiji

“…Detailed knowledge of the molecular mechanisms that control the spectral properties in the rhodopsin protein family is important for understanding the…”
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Color Tuning in Short Wavelength-Sensitive Human and Mouse Visual Pigments: Ab initio Quantum Mechanics/Molecular Mechanics Studies by Altun, Ahmet, Yokoyama, Shozo, Morokuma, Keiji

“…We have investigated the protonation state and photoabsorption spectrum of Schiff-base (SB) nitrogen bound 11-cis-retinal in human blue and mouse UV cone…”
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London Dispersion Interactions in Pnictogen Cations [ECl2]+ and [E=E]2+ (E=P, As, Sb) Supported by Anionic N‐Heterocyclic Carbenes by Ho, Luong Phong, Nasr, Alexandre, Jones, Peter G., Altun, Ahmet, Neese, Frank, Bistoni, Giovanni, Tamm, Matthias

“…Several pnictogen dihalide complexes of the type (WCA‐IDipp)EX2 (E=P, As, Sb; X=Cl, Br) that bear an anionic N‐heterocyclic carbene ligand with a weakly…”
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Attenuation of morphine antinociceptive tolerance by cannabinoid CB1 and CB2 receptor antagonists by Altun, Ahmet, Yildirim, Kemal, Ozdemir, Ercan, Bagcivan, Ihsan, Gursoy, Sinan, Durmus, Nedim

“…Cannabinoid CB1 and CB2 receptor antagonists may be useful for their potential to increase or prolong opioid analgesia while attenuating the development of…”
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Evaluation of the impact of persistent subepithelial corneal infiltrations on the visual performance and corneal optical quality after epidemic keratoconjunctivitis by Aydin Kurna, Sevda, Altun, Ahmet, Oflaz, Aynur, Karatay Arsan, Aysu

“…Purpose Aim was to measure the effect of persistent subepithelial corneal infiltrates (SEIs) after epidemic keratoconjunctivitis (EKC) on visual performance…”
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Vision Related Quality of Life in Patients with Keratoconus by Akkaya, Sezen, Gencaga, Tugba, Altun, Ahmet, Kurna, S. A., Sengor, Tomris

“…Purpose. The purpose of this study is to evaluate the vision related quality of life in patients with keratoconus by using the National Eye Institute Visual…”
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