| Computational insights into the protonation states of catalytic dyad in BACE1–acyl guanidine based inhibitor complex A Kocak, I Erol, M Yildiz, H Can Journal of Molecular Graphics and Modelling 70, 226-235, 2016 | 40 | 2016 |
| Dissociation Energy and Electronic and Vibrational Spectroscopy of Co+(H2O) and Its Isotopomers A Kocak, G Austein-Miller, WL Pearson III, G Altinay, RB Metz The Journal of Physical Chemistry A 117 (6), 1254-1264, 2013 | 31 | 2013 |
| Vibrational Spectroscopy Reveals Varying Structural Motifs in Cu+(CH4)n and Ag+(CH4)n (n = 1–6) A Kocak, MA Ashraf, RB Metz The Journal of Physical Chemistry A 119 (37), 9653-9665, 2015 | 25 | 2015 |
| Photodissociation Studies of the Electronic and Vibrational Spectroscopy of Ni+(H2O) JS Daluz, A Kocak, RB Metz The Journal of Physical Chemistry A 116 (5), 1344-1352, 2012 | 25 | 2012 |
| Vibrational Spectroscopy of Co+(CH4)n and Ni+(CH4)n (n = 1–4) A Kocak, Z Sallese, MD Johnston, RB Metz The Journal of Physical Chemistry A 118 (18), 3253-3265, 2014 | 24 | 2014 |
| Experimental and theoretical studies on Cu (II) complex of N, N′-disalicylidene-2, 3-diaminopyridine ligand reveal indirect evidence for DNA intercalation A Kocak, H Yilmaz, O Faiz, O Andac Polyhedron 104, 106-115, 2016 | 22 | 2016 |
| Vibrational spectroscopy and theory of Fe 2+(CH 4) n (n= 1–3) MA Ashraf, CW Copeland, A Kocak, AR McEnroe, RB Metz Physical Chemistry Chemical Physics 17 (39), 25700-25704, 2015 | 20 | 2015 |
| Electronic and vibrational spectroscopy of intermediates in methane-to-methanol conversion by CoO+ G Altinay, A Kocak, J Silva Daluz, RB Metz The Journal of chemical physics 135 (8), 2011 | 19 | 2011 |
| Docking, molecular dynamics and free energy studies on aspartoacylase mutations involved in Canavan disease A Kocak, M Yildiz Journal of Molecular Graphics and Modelling 74, 44-53, 2017 | 16 | 2017 |
| Accurate binding free energy method from end-state MD simulations E Akkus, O Tayfuroglu, M Yildiz, A Kocak Journal of Chemical Information and Modeling 62 (17), 4095-4106, 2022 | 15 | 2022 |
| HBGA binding modes and selectivity in noroviruses upon mutation: a docking and molecular dynamics study A Kocak Journal of molecular modeling 25 (12), 369, 2019 | 14 | 2019 |
| A new Co (III) complex of Schiff base derivative for electrochemical recognition of nitrite anion H Yilmaz, A Kocak, M Dilimulati, Y Zorlu, M Andac Journal of Chemical Sciences 129, 1559-1569, 2017 | 14 | 2017 |
| In silico investigation into H2 uptake in MOFs: combined text/data mining and structural calculations O Tayfuroglu, A Kocak, Y Zorlu Langmuir 36 (1), 119-129, 2019 | 12 | 2019 |
| A neural network potential for the IRMOF series and its application for thermal and mechanical behaviors O Tayfuroglu, A Kocak, Y Zorlu Physical Chemistry Chemical Physics 24 (19), 11882-11897, 2022 | 11 | 2022 |
| Investigation of Binding behaviour of a water-soluble gallium (III) phthalocyanine with double-stranded and G-quadruplex DNA via experimental and computational methods E Bağda, E Bağda, A Kocak, M Durmuş Journal of Molecular Structure 1240, 130536, 2021 | 11 | 2021 |
| Near ultraviolet photodissociation spectroscopy of Mn+ (H2O) and Mn+ (D2O) WL Pearson, C Copeland, A Kocak, Z Sallese, RB Metz The Journal of Chemical Physics 141 (20), 2014 | 11 | 2014 |
| Molecular dynamics simulations reveal the plausible agonism/antagonism mechanism by steroids on androgen receptor mutations A Kocak, M Yildiz Journal of Molecular Graphics and Modelling 111, 108081, 2022 | 9 | 2022 |
| Experimental and theoretical investigation of water-soluble silicon (IV) phthalocyanine and its interaction with bovine serum albumin SY Al-Raqa, K Khezami, EN Kaya, A Kocak, M Durmuş JBIC Journal of Biological Inorganic Chemistry 26, 235-247, 2021 | 8 | 2021 |
| Molecular Dynamics Studies of Histo-Blood Group Antigen Blocking Human Immunoglobulin A Antibody and Escape Mechanism in Noroviruses Upon Mutation M Yildiz, A Kocak Journal of Computational Biology 26 (9), 962-974, 2019 | 7 | 2019 |
| Experimental and theoretical studies of carbazole-based Schiff base as a fluorescent Fe probe H Kandemir, A Kocak, SO TÜMAY, B ÇOŞUT, Y Zorlu, İF ŞENGÜL Turkish Journal of Chemistry 42 (2), 221-236, 2018 | 7 | 2018 |
