Munzarová ML - Search Results

1

Relationships between 31P chemical shift tensors and conformation of nucleic acid backbone: a DFT study.

Precechtelová J, Munzarová ML, Novák P, Sklenár V. Precechtelová J, et al. Among authors: munzarova ml. J Phys Chem B. 2007 Mar 15;111(10):2658-67. doi: 10.1021/jp0668652. Epub 2007 Feb 22. J Phys Chem B. 2007. PMID: 17315915

2

Three-bond sugar-base couplings in purine versus pyrimidine nucleosides: a DFT study of Karplus relationships for (3)J(C2/4-H1') and (3)J(C6/8-H1') in DNA.

Munzarová ML, Sklenár V. Munzarová ML, et al. J Am Chem Soc. 2002 Sep 11;124(36):10666-7. doi: 10.1021/ja026502p. J Am Chem Soc. 2002. PMID: 12207516

3

DFT analysis of NMR scalar interactions across the glycosidic bond in DNA.

Munzarová ML, Sklenár V. Munzarová ML, et al. J Am Chem Soc. 2003 Mar 26;125(12):3649-58. doi: 10.1021/ja028931t. J Am Chem Soc. 2003. PMID: 12643728

4

Experiments for correlating quaternary carbons in RNA bases.

Fiala R, Munzarová ML, Sklenár V. Fiala R, et al. Among authors: munzarova ml. J Biomol NMR. 2004 Aug;29(4):477-90. doi: 10.1023/B:JNMR.0000034358.12599.d1. J Biomol NMR. 2004. PMID: 15243179

5

Measurement of long-range 1H-19F scalar coupling constants and their glycosidic torsion dependence in 5-fluoropyrimidine-substituted RNA.

Hennig M, Munzarova ML, Bermel W, Scott LG, Sklenar V, Williamson JR. Hennig M, et al. Among authors: munzarova ml. J Am Chem Soc. 2006 May 3;128(17):5851-8. doi: 10.1021/ja060165t. J Am Chem Soc. 2006. PMID: 16637654 Free PMC article.

6

31P chemical shift tensors for canonical and non-canonical conformations of nucleic acids: a DFT study and NMR implications.

Precechtelová J, Padrta P, Munzarová ML, Sklenár V. Precechtelová J, et al. Among authors: munzarova ml. J Phys Chem B. 2008 Mar 20;112(11):3470-8. doi: 10.1021/jp076073n. Epub 2008 Feb 26. J Phys Chem B. 2008. PMID: 18298109

7

Phosphorus chemical shifts in a nucleic acid backbone from combined molecular dynamics and density functional calculations.

Přecechtělová J, Novák P, Munzarová ML, Kaupp M, Sklenář V. Přecechtělová J, et al. Among authors: munzarova ml. J Am Chem Soc. 2010 Dec 8;132(48):17139-48. doi: 10.1021/ja104564g. Epub 2010 Nov 12. J Am Chem Soc. 2010. PMID: 21073198

8

Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations.

Přecechtělová J, Munzarová ML, Vaara J, Novotný J, Dračínský M, Sklenář V. Přecechtělová J, et al. Among authors: munzarova ml. J Chem Theory Comput. 2013 Mar 12;9(3):1641-56. doi: 10.1021/ct300488y. Epub 2013 Feb 11. J Chem Theory Comput. 2013. PMID: 26587625

9

Mechanistic Analysis of Alkyne Haloboration: A DFT, MP2, and DLPNO-CCSD(T) Study.

Stošek J, Semrád H, Mazal C, Munzarová M. Stošek J, et al. J Phys Chem A. 2023 Aug 3;127(30):6135-6146. doi: 10.1021/acs.jpca.3c00607. Epub 2023 Jul 25. J Phys Chem A. 2023. PMID: 37489760 Free PMC article.

10

Comparative density-functional study of the electron paramagnetic resonance parameters of amavadin.

Remenyi C, Munzarova ML, Kaupp M. Remenyi C, et al. Among authors: munzarova ml. J Phys Chem B. 2005 Mar 10;109(9):4227-33. doi: 10.1021/jp045148+. J Phys Chem B. 2005. PMID: 16851485

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