Lista de obras - Ahmet Altun - Dominio Público Uruguay

A simple method for studying the molecular mechanisms of ultraviolet and violet reception in vertebrates

artículo científico publicado en 2016

Adaptive evolutionary paths from UV reception to sensing violet light by epistatic interactions

artículo científico publicado en 2015

Color Tuning in rhodopsins: the origin of the spectral shift between the chloride-bound and anion-free forms of halorhodopsin.

artículo científico publicado en 2012

Color tuning in short wavelength-sensitive human and mouse visual pigments: ab initio quantum mechanics/molecular mechanics studies.

artículo científico publicado en 2009

Combined Quantum Mechanical/Molecular Mechanical Study on the Pentacoordinated Ferric and Ferrous Cytochrome P450camComplexes

Combined experimental and theoretical studies on the vibrational spectra of 2-quinolinecarboxaldehyde

article

Common system setup for the entire catalytic cycle of cytochrome P450(cam) in quantum mechanical/molecular mechanical studies

artículo científico publicado en 2007

Contributors

Correlated Ab Initio and Density Functional Studies on H2 Activation by FeO(.).

artículo científico publicado en 2014

Correlation effects and orbital magnetism of Co clusters

scholarly article in Physical Review B, vol. 93 no. 22, June 2016

Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study

artículo científico publicado en 2018

Electron-conformational study for the structure-hallucinogenic activity relationships of phenylalkylamines.

artículo científico publicado en 2003

Epistatic adaptive evolution of human color vision

artículo científico publicado en 2014

Experimental and theoretical studies on IR, Raman, and UV-Vis spectra of quinoline-7-carboxaldehyde

artículo científico publicado en 2014

HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †

artículo científico publicado en 2019

Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework

artículo científico publicado en 2019

Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.

artículo científico publicado en 2018

Mechanism of spectral tuning going from retinal in vacuo to bovine rhodopsin and its mutants: multireference ab initio quantum mechanics/molecular mechanics studies.

artículo científico publicado en 2008

Molecular convergence of infrared vision in snakes.

artículo científico publicado en 2010

Multireference ab initio quantum mechanics/molecular mechanics study on intermediates in the catalytic cycle of cytochrome P450(cam).

artículo científico publicado en 2008

Nitrate reduction enables safer aryldiazonium chemistry

artículo científico publicado en 2024

Open-Shell Variant of the London Dispersion-Corrected Hartree–Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies

artículo científico publicado en 2022

Principal active species of horseradish peroxidase, compound I: a hybrid quantum mechanical/molecular mechanical study

artículo científico publicado en 2005

QM/MM Study of Dehydro and Dihydro β-Ionone Retinal Analogues in Squid and Bovine Rhodopsins: Implications for Vision in Salamander Rhodopsin ⬇️

artículo científico publicado el 21 de octubre de 2010

Spectral tuning in visual pigments: an ONIOM(QM:MM) study on bovine rhodopsin and its mutants.

artículo científico publicado en 2008

Synthesis, structure-activity relationships, and in vitro antibacterial and antifungal activity evaluations of novel pyrazole carboxylic and dicarboxylic acid derivatives.

artículo científico publicado en 2014

Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor

artículo científico publicado en 2006

The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM study

artículo científico publicado en 2006

Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.

artículo científico publicado en 2005

Thermal studies and vibrational analyses of m-methylaniline complexes of Zn(II), Cd(II) and Hg(II) bromides ⬇️

artículo científico publicado el 1 de junio de 2003

Thermal, vibrational and EPR studies of Cu(II) bromide bis(p-methylaniline) and bis(m-methylaniline) complexes.

artículo científico publicado en 2004

Water as biocatalyst in cytochrome P450

artículo científico publicado en 2011

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

article

Lista de obras de Ahmet Altun

A simple method for studying the molecular mechanisms of ultraviolet and violet reception in vertebrates

Adaptive evolutionary paths from UV reception to sensing violet light by epistatic interactions

Color Tuning in rhodopsins: the origin of the spectral shift between the chloride-bound and anion-free forms of halorhodopsin.

Color tuning in short wavelength-sensitive human and mouse visual pigments: ab initio quantum mechanics/molecular mechanics studies.

Combined Quantum Mechanical/Molecular Mechanical Study on the Pentacoordinated Ferric and Ferrous Cytochrome P450camComplexes

Combined experimental and theoretical studies on the vibrational spectra of 2-quinolinecarboxaldehyde

Common system setup for the entire catalytic cycle of cytochrome P450(cam) in quantum mechanical/molecular mechanical studies

Contributors

Correlated Ab Initio and Density Functional Studies on H2 Activation by FeO(.).

Correlation effects and orbital magnetism of Co clusters

Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study

Electron-conformational study for the structure-hallucinogenic activity relationships of phenylalkylamines.

Epistatic adaptive evolution of human color vision

Experimental and theoretical studies on IR, Raman, and UV-Vis spectra of quinoline-7-carboxaldehyde

HFLD: A Nonempirical London Dispersion-Corrected Hartree-Fock Method for the Quantification and Analysis of Noncovalent Interaction Energies of Large Molecular Systems †

Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework

Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study.

Mechanism of spectral tuning going from retinal in vacuo to bovine rhodopsin and its mutants: multireference ab initio quantum mechanics/molecular mechanics studies.

Molecular convergence of infrared vision in snakes.

Multireference ab initio quantum mechanics/molecular mechanics study on intermediates in the catalytic cycle of cytochrome P450(cam).

Nitrate reduction enables safer aryldiazonium chemistry

Open-Shell Variant of the London Dispersion-Corrected Hartree–Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies

Principal active species of horseradish peroxidase, compound I: a hybrid quantum mechanical/molecular mechanical study

QM/MM Study of Dehydro and Dihydro β-Ionone Retinal Analogues in Squid and Bovine Rhodopsins: Implications for Vision in Salamander Rhodopsin ⬇️

Spectral tuning in visual pigments: an ONIOM(QM:MM) study on bovine rhodopsin and its mutants.

Synthesis, structure-activity relationships, and in vitro antibacterial and antifungal activity evaluations of novel pyrazole carboxylic and dicarboxylic acid derivatives.

Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor

The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM study

Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.

Thermal studies and vibrational analyses of m-methylaniline complexes of Zn(II), Cd(II) and Hg(II) bromides ⬇️

Thermal, vibrational and EPR studies of Cu(II) bromide bis(p-methylaniline) and bis(m-methylaniline) complexes.

Water as biocatalyst in cytochrome P450

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