Šponer J - Search Results

1

A G-quadruplex-binding compound showing anti-tumour activity in an in vivo model for pancreatic cancer.

Ohnmacht SA, Marchetti C, Gunaratnam M, Besser RJ, Haider SM, Di Vita G, Lowe HL, Mellinas-Gomez M, Diocou S, Robson M, Šponer J, Islam B, Pedley RB, Hartley JA, Neidle S. Ohnmacht SA, et al. Among authors: sponer j. Sci Rep. 2015 Jun 16;5:11385. doi: 10.1038/srep11385. Sci Rep. 2015. PMID: 26077929 Free PMC article.

2

Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale.

Islam B, Sgobba M, Laughton C, Orozco M, Sponer J, Neidle S, Haider S. Islam B, et al. Among authors: sponer j. Nucleic Acids Res. 2013 Feb 1;41(4):2723-35. doi: 10.1093/nar/gks1331. Epub 2013 Jan 4. Nucleic Acids Res. 2013. PMID: 23293000 Free PMC article.

3

Extended molecular dynamics of a c-kit promoter quadruplex.

Islam B, Stadlbauer P, Krepl M, Koca J, Neidle S, Haider S, Sponer J. Islam B, et al. Among authors: sponer j. Nucleic Acids Res. 2015 Oct 15;43(18):8673-93. doi: 10.1093/nar/gkv785. Epub 2015 Aug 5. Nucleic Acids Res. 2015. PMID: 26245347 Free PMC article.

4

Conformations of Human Telomeric G-Quadruplex Studied Using a Nucleotide-Independent Nitroxide Label.

Zhang X, Xu CX, Di Felice R, Sponer J, Islam B, Stadlbauer P, Ding Y, Mao L, Mao ZW, Qin PZ. Zhang X, et al. Among authors: sponer j. Biochemistry. 2016 Jan 19;55(2):360-72. doi: 10.1021/acs.biochem.5b01189. Epub 2015 Dec 31. Biochemistry. 2016. PMID: 26678746 Free PMC article.

5

Can We Execute Reliable MM-PBSA Free Energy Computations of Relative Stabilities of Different Guanine Quadruplex Folds?

Islam B, Stadlbauer P, Neidle S, Haider S, Sponer J. Islam B, et al. Among authors: sponer j. J Phys Chem B. 2016 Mar 24;120(11):2899-912. doi: 10.1021/acs.jpcb.6b01059. Epub 2016 Mar 11. J Phys Chem B. 2016. PMID: 26918369 Free article.

6

TiO2-catalyzed synthesis of sugars from formaldehyde in extraterrestrial impacts on the early Earth.

Civiš S, Szabla R, Szyja BM, Smykowski D, Ivanek O, Knížek A, Kubelík P, Šponer J, Ferus M, Šponer JE. Civiš S, et al. Among authors: sponer j, sponer je. Sci Rep. 2016 Mar 16;6:23199. doi: 10.1038/srep23199. Sci Rep. 2016. PMID: 26979666 Free PMC article.

7

Folding of guanine quadruplex molecules-funnel-like mechanism or kinetic partitioning? An overview from MD simulation studies.

Šponer J, Bussi G, Stadlbauer P, Kührová P, Banáš P, Islam B, Haider S, Neidle S, Otyepka M. Šponer J, et al. Biochim Biophys Acta Gen Subj. 2017 May;1861(5 Pt B):1246-1263. doi: 10.1016/j.bbagen.2016.12.008. Epub 2016 Dec 13. Biochim Biophys Acta Gen Subj. 2017. PMID: 27979677 Free article. Review.

8

Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations.

Islam B, Stadlbauer P, Gil-Ley A, Pérez-Hernández G, Haider S, Neidle S, Bussi G, Banas P, Otyepka M, Sponer J. Islam B, et al. Among authors: sponer j. J Chem Theory Comput. 2017 Jun 13;13(6):2458-2480. doi: 10.1021/acs.jctc.7b00226. Epub 2017 May 18. J Chem Theory Comput. 2017. PMID: 28475322 Free PMC article.

9

Selectivity of major isoquinoline alkaloids from Chelidonium majus towards telomeric G-quadruplex: A study using a transition-FRET (t-FRET) assay.

Noureini SK, Esmaeili H, Abachi F, Khiali S, Islam B, Kuta M, Saboury AA, Hoffmann M, Sponer J, Parkinson G, Haider S. Noureini SK, et al. Among authors: sponer j. Biochim Biophys Acta Gen Subj. 2017 Aug;1861(8):2020-2030. doi: 10.1016/j.bbagen.2017.05.002. Epub 2017 May 4. Biochim Biophys Acta Gen Subj. 2017. PMID: 28479277

10

Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes.

Havrila M, Stadlbauer P, Islam B, Otyepka M, Šponer J. Havrila M, et al. Among authors: sponer j. J Chem Theory Comput. 2017 Aug 8;13(8):3911-3926. doi: 10.1021/acs.jctc.7b00257. Epub 2017 Jul 17. J Chem Theory Comput. 2017. PMID: 28657760

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