Exploring the Photophysics of Polyfluorinated Phthalocyanine Derivatives as Potential Theranostic Agents B Koca, E Hamuryudan, S Catak, A Erdogmus, A Monari, V Aviyente The Journal of Physical Chemistry C 123 (40), 24417-24425, 2019 | 35 | 2019 |
Accurate Metal–Imidazole Interactions Z Li, LF Song, G Sharma, B Koca Fındık, KM Merz Jr Journal of Chemical Theory and Computation 19 (2), 619-625, 2022 | 15 | 2022 |
A blind SAMPL6 challenge: insight into the octanol-water partition coefficients of drug-like molecules via a DFT approach E Arslan, BK Findik, V Aviyente Journal of Computer-Aided Molecular Design 34, 463-470, 2020 | 14 | 2020 |
SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules BK Fındık, ZP Haslak, E Arslan, V Aviyente Journal of Computer-Aided Molecular Design 35 (7), 841-851, 2021 | 13 | 2021 |
Organocatalysts in ring-opening polymerization: revealing their effect on stereochemistry B Koca, D Akgul, V Aviyente European Polymer Journal 121, 109291, 2019 | 8 | 2019 |
Binding of Phosphate Species to Ca2+ and Mg2+ in Aqueous Solution B Koca Fındık, M Jafari, LF Song, Z Li, V Aviyente, KM Merz Jr Journal of Chemical Theory and Computation, 2024 | 6 | 2024 |
Investigation of iron release from the N-and C-lobes of human serum transferrin by quantum chemical calculations BK Fındık, U Cilesiz, SK Bali, C Atilgan, V Aviyente, B Dedeoglu Organic & Biomolecular Chemistry 20 (44), 8766-8774, 2022 | 4 | 2022 |
Origins of the photoinitiation capacity of aromatic thiols as photoinitiatiors: a computational study V Fındık, BK Fındık, V Aviyente, A Monari Physical Chemistry Chemical Physics, 2021 | 3 | 2021 |
Efficient Drug Delivering of a Photodynamic Therapy Agent into Cellular Membranes Rationalized by Molecular Dynamics B Koca-Findik, I Yakavets, H Lassalle, A MONARI | | 2023 |