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Süleyman Selim Çınaroğlu
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Comparative assessment of seven docking programs on a nonredundant metalloprotein subset of the PDBbind refined
SS Çınaroğlu, E Timuçin
Journal of Chemical Information and Modeling 59 (9), 3846-3859, 2019
382019
Molecular modelling of the FOXO4-TP53 interaction to design senolytic peptides for the elimination of senescent cancer cells
HH Le, SS Cinaroglu, EC Manalo, A Ors, MM Gomes, BD Sahbaz, ...
EBioMedicine 73, 2021
252021
An integrated approach towards the development of novel antifungal agents containing thiadiazole: synthesis and a combined similarity search, homology modelling, molecular …
M Er, AM Abounakhla, H Tahtaci, AH Bawah, SS Çınaroğlu, A Onaran, ...
Chemistry Central Journal 12, 1-21, 2018
232018
VirtualFlow ants—ultra-large virtual screenings with artificial intelligence driven docking algorithm based on ant colony optimization
C Gorgulla, SS Çınaroğlu, PD Fischer, K Fackeldey, G Wagner, ...
International Journal of Molecular Sciences 22 (11), 5807, 2021
222021
Comprehensive evaluation of the MM-GBSA method on bromodomain-inhibitor sets
SS Çınaroğlu, E Timuçin
Briefings in Bioinformatics 21 (6), 2112-2125, 2020
212020
Peptide antibiotics developed by mimicking natural antimicrobial peptides
N Unubol, SS Çınaroğlu, MA Elmas, S Akcelik, AT Ozal Ildeniz, S Arbak
Clin. Microbiol 6 (1000291), 10.4172, 2017
132017
Evaluating the performance of water models with host–guest force fields in binding enthalpy calculations for cucurbit [7] uril–guest systems
SS Çınaroğlu, PC Biggin
The Journal of Physical Chemistry B 125 (6), 1558-1567, 2021
92021
Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Iα through computational modelling and molecular …
A Maryam, RR Khalid, SC Vedithi, ECE Abdulilah, SS Çınaroğlu, ...
Computational and Structural Biotechnology Journal 18, 1625-1638, 2020
92020
Insights into an alternative benzofuran binding mode and novel scaffolds of polyketide synthase 13 inhibitors
SS Çınaroğlu, E Timuçin
Journal of Molecular Modeling 25, 1-12, 2019
92019
Virtualflow 2.0-the next generation drug discovery platform enabling adaptive screens of 69 billion molecules
C Gorgulla, AK Nigam, M Koop, S Selim Çınaroğlu, C Secker, ...
bioRxiv, 2023.04. 25.537981, 2023
82023
Bridging the Bridging Imidazolate in the Bimetallic Center of the Cu/Zn SOD1 and ALS
AC Timucin, SS Cinaroglu, OU Sezerman, E Timucin
Frontiers in Chemistry 9, 686, 2021
52021
In silico identification of inhibitors targeting N-terminal domain of human replication protein A
SS Çınaroğlu, E Timuçin
Journal of Molecular Graphics and Modelling 86, 149-159, 2019
52019
The role of loop dynamics in the prediction of ligand–protein binding enthalpy
SS Çınaroğlu, PC Biggin
Chemical Science 14 (24), 6792-6805, 2023
42023
A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular …
RR Khalid, A Maryam, SS Çınaroğlu, AR Siddiqi, OU Sezerman
Journal of Biomolecular Structure and Dynamics 40 (13), 6128-6150, 2022
12022
Modeling and dynamical analysis of the full-length structure of factor XII with zinc
E Kılınç, A Can Timucin, S Selim Cinaroglu, E Timucin
Journal of molecular modeling 28 (5), 129, 2022
12022
Novel Senolytic Peptides
E Timucin, U Sezerman, GB Akcapinar, Y Ahiska, SS Çinarouglu
US Patent App. 16/652,815, 2020
12020
Repurposing cell penetrating peptides and their novel derivatives and iopromide and iodo-aryl carbonates for treatment of senescence-related diseases and disorders
SS Çınaroğlu, E Timucin, GB Akcapinar, U Sezerman, Y Ahiska
US Patent App. 16/526,997, 2020
12020
Application of Established Computational Techniques to Identify Potential SARS-CoV-2 Nsp14-MTase Inhibitors in Low Data Regimes
AK Nigam, MFD Hurley, F Lu, E Konkoľová, M Klima, J Trylčová, R Pollice, ...
Digital Discovery, 2024
2024
Computational completion of the Aurora interaction region of N-Myc in the Aurora a kinase complex
P Altiner, SS Çınaroğlu, AC Timucin, E Timucin
Scientific Reports 13 (1), 18399, 2023
2023
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors
AK Nigam, MFD Hurley, F Li, E Konkoľová, M Klíma, J Trylčová, R Pollice, ...
bioRxiv, 2023
2023
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