B. Aksoydan

发表

Synthesis, biological activity and multiscale molecular modeling studies for coumaryl-carboxamide derivatives as selective carbonic anhydrase IX inhibitors

C. Supuran, S. Durdağı, A. Angeli, 2017, Journal of enzyme inhibition and medicinal chemistry.

Integrated Binary QSAR-Driven Virtual Screening and In Vitro Studies for Finding Novel hMAO-B-Selective Inhibitors

Serdar Durdagi, Mine Yurtsever, Busecan Aksoydan, 2020, J. Chem. Inf. Model..

Virtual drug repurposing study for the CGRPR identifies pentagastrin and leuprorelin as putative candidates.

Busecan Aksoydan, S. Durdağı, B. Aksoydan, 2022, Journal of molecular graphics & modelling.

Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing

A. Barty, R. Sierra, M. Hunter, 2021, Structure.

In silico characterization of adipokinetic hormone receptor and screening for pesticide candidates against stick insect, Carausius morosus.

S. Durdağı, Burcin Duan Sahbaz, Aida Shahraki, 2020, Journal of molecular graphics & modelling.

Oligomerization and cooperativity in GPCRs from the perspective of the angiotensin AT1 and dopamine D2 receptors

Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, 2019, Neuroscience Letters.

Application of Multiscale Simulation Tools on GPCRs. An Example with Angiotensin II Type 1 Receptor.

Ismail Erol, Serdar Durdagi, Busecan Aksoydan, 2018, Methods in molecular biology.

Molecular simulations reveal the impact of RAMP1 on ligand binding and dynamics of calcitonin gene-related peptide receptor (CGRPR) heterodimer

S. Durdağı, B. Aksoydan, 2021, Comput. Biol. Medicine.

Molecular simulations reveal the impact of RAMP1 on ligand binding and dynamics of CGRPR heterodimer

S. Durdağı, B. Aksoydan, 2021, bioRxiv.

Identification of novel serotonin reuptake inhibitors targeting central and allosteric binding sites: A virtual screening and molecular dynamics simulations study.

Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, 2017, Journal of molecular graphics & modelling.

Reducing Virulence and Biofilm of Pseudomonas aeruginosa by Potential Quorum Sensing Inhibitor Carotenoid: Zeaxanthin

B. Erman, N. C. Sesal, Barış Gökalsın, 2017, Microbial Ecology.

Integration of multi-scale molecular modeling approaches with experiments for the in silico guided design and discovery of novel hERG-Neutral antihypertensive oxazalone and imidazolone derivatives and analysis of their potential restrictive effects on cell proliferation.

G. Liapakis, Y. Ergun, Ismail Erol, 2018, European journal of medicinal chemistry.

Host-Guest Interactions between Candesartan and Its Prodrug Candesartan Cilexetil in Complex with 2-Hydroxypropyl-β-cyclodextrin: On the Biological Potency for Angiotensin II Antagonism.

G. Liapakis, N. Thomaidis, J. Plavec, 2019, Molecular pharmaceutics.

Proposing Novel MAO-B Hit Inhibitors Using Multidimensional Molecular Modeling Approaches and Application of Binary QSAR Models for Prediction of Their Therapeutic Activity, Pharmacokinetic and Toxicity Properties.

Yusuf Serhat Is, S. Durdağı, M. Yurtsever, 2018, ACS chemical neuroscience.

Current status of multiscale simulations on GPCRs.

Ismail Erol, Serdar Durdagi, Busecan Aksoydan, 2019, Current opinion in structural biology.

Near-Physiological-Temperature Serial Femtosecond X-ray Crystallography Reveals Novel Conformations of SARS-CoV-2 Main Protease Active Site for Improved Drug Repurposing

A. Barty, R. Sierra, M. Hunter, 2020, bioRxiv.

Analysis of Glutamate Agonist LY 404 , 039 at Dopamine Receptor D 2 Dimeric Models Using Multiscale Molecular Modeling Approaches

P. Seeman, Ismail Erol, Busecan Aksoydan, 2017 .

Structure-based design of hERG-neutral antihypertensive oxazalone and imidazolone derivatives.

Ismail Erol, Busecan Aksoydan, Isik Kantarcioglu, 2018, Journal of molecular graphics & modelling.