Cinaroglu SS - Search Results

1

Molecular modelling of the FOXO4-TP53 interaction to design senolytic peptides for the elimination of senescent cancer cells.

Le HH, Cinaroglu SS, Manalo EC, Ors A, Gomes MM, Duan Sahbaz B, Bonic K, Origel Marmolejo CA, Quentel A, Plaut JS, Kawashima TE, Ozdemir ES, Malhotra SV, Ahiska Y, Sezerman U, Bayram Akcapinar G, Saldivar JC, Timucin E, Fischer JM. Le HH, et al. Among authors: cinaroglu ss. EBioMedicine. 2021 Nov;73:103646. doi: 10.1016/j.ebiom.2021.103646. Epub 2021 Oct 21. EBioMedicine. 2021. PMID: 34689087 Free PMC article.

2

In silico identification of inhibitors targeting N-Terminal domain of human Replication Protein A.

Çınaroğlu SS, Timuçin E. Çınaroğlu SS, et al. J Mol Graph Model. 2019 Jan;86:149-159. doi: 10.1016/j.jmgm.2018.10.011. Epub 2018 Oct 20. J Mol Graph Model. 2019. PMID: 30366191

3

Insights into an alternative benzofuran binding mode and novel scaffolds of polyketide synthase 13 inhibitors.

Çınaroğlu SS, Timuçin E. Çınaroğlu SS, et al. J Mol Model. 2019 Apr 25;25(5):130. doi: 10.1007/s00894-019-4010-y. J Mol Model. 2019. PMID: 31025202

4

Comparative Assessment of Seven Docking Programs on a Nonredundant Metalloprotein Subset of the PDBbind Refined.

Çınaroğlu SS, Timuçin E. Çınaroğlu SS, et al. J Chem Inf Model. 2019 Sep 23;59(9):3846-3859. doi: 10.1021/acs.jcim.9b00346. Epub 2019 Sep 10. J Chem Inf Model. 2019. PMID: 31460757

5

Comprehensive evaluation of the MM-GBSA method on bromodomain-inhibitor sets.

Çınaroğlu SS, Timuçin E. Çınaroğlu SS, et al. Brief Bioinform. 2020 Dec 1;21(6):2112-2125. doi: 10.1093/bib/bbz143. Brief Bioinform. 2020. PMID: 31735972

6

Bridging the Bridging Imidazolate in the Bimetallic Center of the Cu/Zn SOD1 and ALS.

Timucin AC, Cinaroglu SS, Sezerman OU, Timucin E. Timucin AC, et al. Among authors: cinaroglu ss. Front Chem. 2021 Sep 3;9:716438. doi: 10.3389/fchem.2021.716438. eCollection 2021. Front Chem. 2021. PMID: 34540798 Free PMC article.

7

Computational completion of the Aurora interaction region of N-Myc in the Aurora a kinase complex.

Altiner P, Çınaroğlu SS, Timucin AC, Timucin E. Altiner P, et al. Among authors: cinaroglu ss. Sci Rep. 2023 Oct 26;13(1):18399. doi: 10.1038/s41598-023-45272-3. Sci Rep. 2023. PMID: 37884585 Free PMC article.

8

A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular dysfunctions.

Khalid RR, Maryam A, Çınaroğlu SS, Siddiqi AR, Sezerman OU. Khalid RR, et al. Among authors: cinaroglu ss. J Biomol Struct Dyn. 2022 Aug;40(13):6128-6150. doi: 10.1080/07391102.2021.1877818. Epub 2021 Feb 1. J Biomol Struct Dyn. 2022. PMID: 33522438

9

VirtualFlow Ants-Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization.

Gorgulla C, Çınaroğlu SS, Fischer PD, Fackeldey K, Wagner G, Arthanari H. Gorgulla C, et al. Among authors: cinaroglu ss. Int J Mol Sci. 2021 May 28;22(11):5807. doi: 10.3390/ijms22115807. Int J Mol Sci. 2021. PMID: 34071676 Free PMC article.

10

Evaluating the Performance of Water Models with Host-Guest Force Fields in Binding Enthalpy Calculations for Cucurbit[7]uril-Guest Systems.

Çınaroğlu SS, Biggin PC. Çınaroğlu SS, et al. J Phys Chem B. 2021 Feb 18;125(6):1558-1567. doi: 10.1021/acs.jpcb.0c11383. Epub 2021 Feb 4. J Phys Chem B. 2021. PMID: 33538161

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