| Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes S Shaik, D Kumar, SP de Visser, A Altun, W Thiel Chemical Reviews 105 (6), 2279-2328, 2005 | 1270 | 2005 |
| Structure and vibrational spectra of p-methylaniline: Hartree-Fock, MP2 and density functional theory studies A Altun, K Golcuk, M Kumru Journal of Molecular Structure: THEOCHEM 637, 155-159, 2003 | 261 | 2003 |
| Synthesis, structure–activity relationships, and in vitro antibacterial and antifungal activity evaluations of novel pyrazole carboxylic and dicarboxylic acid derivatives S Mert, R Kasımoğulları, T Iça, F Çolak, A Altun, S Ok European Journal of Medicinal Chemistry 78, 86-96, 2014 | 174 | 2014 |
| Theoretical and experimental studies of the vibrational spectra of m-methylaniline A Altun, K Gölcük, M Kumru Journal of Molecular Structure: THEOCHEM 625 (1-3), 17-24, 2003 | 142 | 2003 |
| 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 … A Altun, S Shaik, W Thiel Journal of the American Chemical Society 129 (29), 8978-8987, 2007 | 129 | 2007 |
| Spectral tuning in visual pigments: An ONIOM(QM:MM) study on bovine rhodopsin and its mutants A Altun, S Yokoyama, K Morokuma The Journal of Physical Chemistry B 112 (22), 6814-6827, 2008 | 121 | 2008 |
| The Effect of Heme Environment on the Hydrogen Abstraction Reaction of Camphor in P450cam Catalysis: A QM/MM Study A Altun, V Guallar, RA Friesner, S Shaik, W Thiel Journal of the American Chemical Society 128 (12), 3924-3925, 2006 | 118 | 2006 |
| Correlated ab initio and density functional studies on H2 activation by FeO+ A Altun, J Breidung, F Neese, W Thiel Journal of Chemical Theory and Computation 10 (9), 3807-3820, 2014 | 104 | 2014 |
| Mechanism of spectral tuning going from retinal in vacuo to bovine rhodopsin and its mutants: multireference ab initio quantum mechanics/molecular mechanics studies A Altun, S Yokoyama, K Morokuma The Journal of Physical Chemistry B 112 (51), 16883-16890, 2008 | 99 | 2008 |
| Local Energy Decomposition of Open-Shell Molecular Systems in the Domain-Based Local Pair Natural Orbital Coupled Cluster Framework A Altun, M Saitow, F Neese, G Bistoni Journal of Chemical Theory and Computation 15 (3), 1616-1632, 2019 | 97 | 2019 |
| Effect of Electron Correlation on Intermolecular Interactions: A Pair Natural Orbitals Coupled Cluster Based Local Energy Decomposition Study A Altun, F Neese, G Bistoni Journal of Chemical Theory and Computation 15 (1), 215–228, 2019 | 97 | 2019 |
| Principal active species of horseradish peroxidase, compound I: a hybrid quantum mechanical/molecular mechanical study E Derat, S Cohen, S Shaik, A Altun, W Thiel Journal of the American Chemical Society 127 (39), 13611-13621, 2005 | 96 | 2005 |
| Systematic QM/MM investigation of factors that affect the cytochrome P450‐catalyzed hydrogen abstraction of camphor A Altun, S Shaik, W Thiel Journal of Computational Chemistry 27 (12), 1324-1337, 2006 | 93 | 2006 |
| Local energy decomposition analysis of hydrogen-bonded dimers within a domain-based pair natural orbital coupled cluster study A Altun, F Neese, G Bistoni Beilstein J. Org. Chem. 14, 919-929, 2018 | 82 | 2018 |
| Combined quantum mechanical/molecular mechanical study on the pentacoordinated ferric and ferrous cytochrome P450cam complexes A Altun, W Thiel The Journal of Physical Chemistry B 109 (3), 1268-1280, 2005 | 72 | 2005 |
| Thermal studies and vibrational analyses of m-methylaniline complexes of Zn (II), Cd (II) and Hg (II) bromides K Golcuk, A Altun, M Kumru Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 59 (8 …, 2003 | 67 | 2003 |
| Multireference Ab Initio Quantum Mechanics/Molecular Mechanics Study on Intermediates in the Catalytic Cycle of Cytochrome P450cam A Altun, D Kumar, F Neese, W Thiel The Journal of Physical Chemistry A 112 (50), 12904-12910, 2008 | 56 | 2008 |
| London Dispersion Interactions in Pnictogen Cations [ECl2]+ and [E=E]2+ (E = P, As, Sb) Supported by Anionic N‐Heterocyclic Carbenes M Tamm, LP Ho, A Nasr, PG Jones, A . Altun, F Neese, G Bistoni Chemistry - A European Journal, 2018 | 55 | 2018 |
| Epistatic adaptive evolution of human color vision S Yokoyama, J Xing, Y Liu, D Faggionato, A Altun, WT Starmer PLoS Genetics 10 (12), e1004884, 2014 | 55 | 2014 |
| Common system setup for the entire catalytic cycle of cytochrome P450cam in quantum mechanical/molecular mechanical studies J Zheng, A Altun, W Thiel Journal of Computational Chemistry 28 (13), 2147-2158, 2007 | 55 | 2007 |
Mustafa KUMRUMedical Center - University of Freiburg, Department of Urology- Division of UrotechnologyVerified email at uniklinik-freiburg.de
