AM1* parameters for phosphorus, sulfur and chlorine P Winget, AHC Horn, C Selçuki, B Martin, T Clark Journal of molecular modeling 9, 408-414, 2003 | 98 | 2003 |
Towards a ‘‘next generation’’neglect of diatomic differential overlap based semiempirical molecular orbital technique P Winget, C Selcuki, AHC Horn, B Martin, T Clark Theoretical Chemistry Accounts 110 (4), 254-266, 2003 | 80 | 2003 |
NO binding to cobalamin: influence of the metal oxidation state C Selçuki, R van Eldik, T Clark Inorganic chemistry 43 (9), 2828-2833, 2004 | 36 | 2004 |
Theoretical study of hydrogen abstraction from dimethyl ether and methyl tert-butyl ether by hydroxyl radical F Atadinc, C Selcuki, L Sari, V Aviyente Physical Chemistry Chemical Physics 4 (10), 1797-1806, 2002 | 30 | 2002 |
DFT and TDDFT investigation of the Schiff base formed by tacrine and saccharin N Acar, C Selçuki, E Coşkun Journal of molecular modeling 23, 1-12, 2017 | 21 | 2017 |
A DFT study of carbonyl oxide and its methyl-substituted analogues in solution C Selçuki, V Aviyente Chemical physics letters 288 (5-6), 669-676, 1998 | 16 | 1998 |
A DFT and TDDFT investigation of interactions between 1-hydroxypyrene and aromatic amino acids T Kaya, C Selçuki, N Acar Computational and Theoretical Chemistry 1073, 9-19, 2015 | 15 | 2015 |
Effect of solvation on ozonolysis reaction intermediates and transition states C Selçuki, V Aviyente, P Aplincourt, MF Ruiz-López Molecular modeling annual 6, 608-617, 2000 | 12 | 2000 |
An ab initio study of the formation of alkoxy radicals by reactions of simple alkenes with the OH radical C Selçuki, V Aviyente Molecular modeling annual 7, 398-407, 2001 | 9 | 2001 |
Conformational analysis of glutamic acid: a density functional approach using implicit continuum solvent model B Turan, C Selcuki Journal of molecular modeling 20, 1-13, 2014 | 8 | 2014 |
PHA-L lectin and carbohydrate relationship: conjugation with CdSe/CdS nanoparticles, radiolabeling and in vitro affinities on MCF-7 cells A Kara, P Ünak, C Selçuki, Ö Akça, EI Medine, S Sakarya Journal of Radioanalytical and Nuclear Chemistry 299, 807-813, 2014 | 7 | 2014 |
Electrostatic solvent effects on the conversion of substituted carbonyl oxides to dioxiranes C Selçuki, V Aviyente Molecular modeling annual 7, 70-79, 2001 | 6 | 2001 |
How does the OH group affect the conversion of carbonyl oxide to dioxirane? C Selçuki, V Aviyente Journal of Molecular Structure: THEOCHEM 530 (1-2), 97-107, 2000 | 5 | 2000 |
Modeling prepolymerization step of a serotonin imprinted polymer E Gündeğer, C Selçuki, B Okutucu Journal of Molecular Modeling 22, 1-11, 2016 | 4 | 2016 |
Oxygen donor potential of carbonyl oxide and dioxirane: a DFT study C Selçuki, V Aviyente Journal of Molecular Structure: THEOCHEM 492 (1-3), 165-174, 1999 | 3 | 1999 |
Conformational analysis of 2-substituted-l, 3-diheteroanes. A theoretical study of solvent effects C Selçuki, V Aviyente, T Varnali, RL Rodriguez Journal of Molecular Structure: THEOCHEM 418 (1), 41-47, 1997 | 2 | 1997 |
Investigation of interactions of doxorubicin with purine nucleobases by molecular modeling E Şahin Akdeniz, C Selçuki Journal of Molecular Modeling 28 (3), 69, 2022 | 1 | 2022 |
Investigating of interactions between statin-based cholesterol lowering drugs with p-glycoprotein membrane protein by molecular modeling D Karasu, FN Kok, C Selcuki Current Opinion in Biotechnology, S124, 2011 | 1 | 2011 |
Shell-like features and charge localization in protonated helium clusters: a density functional study I Baccarelli, FA Gianturco, B Balta, V Aviyente, C Selcuki Quantum Systems in Chemistry and Physics Volume 2: Advanced Problems and …, 2000 | 1 | 2000 |
Molecular modelling of TATA-box related short nucleotides H Cirkin, C Selcuki Febs Open Bio, 2021 | | 2021 |