Ismail Erol

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.

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

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

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.

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.

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.

The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligands

P. Seeman, Ismail Erol, R. E. Salmas, 2017, Journal of biomolecular structure & dynamics.

Evolutionary association of receptor-wide amino acids with G protein-coupling selectivity in aminergic GPCRs.

Ogun Adebali, Ismail Erol, S. Durdağı, 2022, Life science alliance.

Computational insights into the protonation states of catalytic dyad in BACE1-acyl guanidine based inhibitor complex.

Ismail Erol, Abdulkadir Kocak, M. Yildiz, 2016, Journal of molecular graphics & modelling.

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 .