Publications

2025

In silico study of active delivery of a photodynamic therapy drug targeting the folate receptor

Findik, B. K., Lognon, E., Catak, S., Monari, A.
Photochemical & Photobiological Sciences , 24 , 1127-1136 , 2025 , Impact Factor: 3.2 , Q2

Rational molecular design of two-photon activated temoporfin: a computational study for advanced photodynamic therapy

Findik, B. K., Uyar, E. S., Monari, A., Catak, S.
Physical Chemistry Chemical Physics , 27 (27) , 14379-14390 , 2025 , Impact Factor: 2.9 , Q2

2024

Efficient Delivering of a Photodynamic Therapy Drug into Cellular Membranes Rationalized by Molecular Dynamics

Findik, B. K., Yakavets, I., Lassalle, H. P., Catak, S., Monari, A.
The Journal of Physical Chemistry B , 128 (47) , 11625–11633 , 2024 , Impact Factor: 2.8 , Q3

Binding of Phosphate Species to Ca2+ and Mg2+ in Aqueous Solution

Findik, B. K., Jafari, M., Song, L. F., Li, Z., Aviyente, V., Merz Jr, K. M.
Journal of Chemical Theory and Computation , 20 (10) , 4298–4307 , 2024 , Impact Factor: 5.5 , Q1

2022

Investigation of iron release from the N- and C-lobes of human serum transferrin by quantum chemical calculations

Findik, B.K., Cilesiz, U., Bali, S.K., Atilgan, C., Aviyente, V., Dedeoglu, B.
Organic & Biomolecular Chemistry , 20 (44) , 8766-8774 , 2022 , Impact Factor: 3.89 , Q1

2021

Origins of the Photoinitiation Capacity of Aromatic Thiols as Photoinitiatiors: A Computational Study

Findik, V., Findik, B.K., Aviyente, V., Monari, A.
Physical Chemistry Chemical Physics , 23 , 24377-24385 , 2021 , Impact Factor: 3.676 , Q1

SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules

Findik, B.K., Haslak, Z.P., Arslan, E., Aviyente, V.
Journal of Computer Aided Molecular Design , 35 , 841-851 , 2021 , Impact Factor: 2.546 , Q2

2020

A Blind SAMPL6 Challenge: Insight Into the Octanol-Water Partition Coefficients of Drug-Like Molecules via a DFT Approach

Arslan, E., Findik, B.K., Aviyente, V.
Journal of Computer Aided Molecular Design , 34 , 463-470 , 2020 , Impact Factor: 3.583 , Q2

2019

Exploring the Photophysics of Polyfluorinated Phthalocyanine Derivatives as Potential Theranostic Agents

Koca, B., Hamuryudan, E., Catak, S., Erdogmus, A., Monari, A., Aviyente, V.
The Journal of Physical Chemistry C , 123 (40) , 24417-24425 , 2019 , Impact Factor: 4.537 , Q1