Retegan M - Search Results

1

On the origin of low-valent uranium oxidation state.

Silva CL, Amidani L, Retegan M, Weiss S, Bazarkina EF, Graubner T, Kraus F, Kvashnina KO. Silva CL, et al. Among authors: retegan m. Nat Commun. 2024 Aug 10;15(1):6861. doi: 10.1038/s41467-024-50924-7. Nat Commun. 2024. PMID: 39127780 Free PMC article.

2

Free energy calculations using dual-level Born-Oppenheimer molecular dynamics.

Retegan M, Martins-Costa M, Ruiz-López MF. Retegan M, et al. J Chem Phys. 2010 Aug 14;133(6):064103. doi: 10.1063/1.3466767. J Chem Phys. 2010. PMID: 20707557

3

Principles of Natural Photosynthesis.

Krewald V, Retegan M, Pantazis DA. Krewald V, et al. Among authors: retegan m. Top Curr Chem. 2016;371:23-48. doi: 10.1007/128_2015_645. Top Curr Chem. 2016. PMID: 26099285 Review.

4

A first-principles approach to the calculation of the on-site zero-field splitting in polynuclear transition metal complexes.

Retegan M, Cox N, Pantazis DA, Neese F. Retegan M, et al. Inorg Chem. 2014 Nov 3;53(21):11785-93. doi: 10.1021/ic502081c. Epub 2014 Oct 23. Inorg Chem. 2014. PMID: 25340874

5

Azurin as a protein scaffold for a low-coordinate nonheme iron site with a small-molecule binding pocket.

McLaughlin MP, Retegan M, Bill E, Payne TM, Shafaat HS, Peña S, Sudhamsu J, Ensign AA, Crane BR, Neese F, Holland PL. McLaughlin MP, et al. Among authors: retegan m. J Am Chem Soc. 2012 Dec 5;134(48):19746-57. doi: 10.1021/ja308346b. Epub 2012 Nov 20. J Am Chem Soc. 2012. PMID: 23167247 Free PMC article.

6

Comparative theoretical studies of the phosphomonoester hydrolysis mechanism by purple acid phosphatases.

Retegan M, Milet A, Jamet H. Retegan M, et al. J Phys Chem A. 2010 Jul 8;114(26):7110-6. doi: 10.1021/jp100478f. J Phys Chem A. 2010. PMID: 20550096

7

Photosynthesis. Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation.

Cox N, Retegan M, Neese F, Pantazis DA, Boussac A, Lubitz W. Cox N, et al. Among authors: retegan m. Science. 2014 Aug 15;345(6198):804-8. doi: 10.1126/science.1254910. Epub 2014 Aug 14. Science. 2014. PMID: 25124437

8

Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem II.

Retegan M, Neese F, Pantazis DA. Retegan M, et al. J Chem Theory Comput. 2013 Aug 13;9(8):3832-42. doi: 10.1021/ct400477j. Epub 2013 Jul 30. J Chem Theory Comput. 2013. PMID: 26584129

9

Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study.

Lohmiller T, Krewald V, Navarro MP, Retegan M, Rapatskiy L, Nowaczyk MM, Boussac A, Neese F, Lubitz W, Pantazis DA, Cox N. Lohmiller T, et al. Among authors: retegan m. Phys Chem Chem Phys. 2014 Jun 28;16(24):11877-92. doi: 10.1039/c3cp55017f. Phys Chem Chem Phys. 2014. PMID: 24525937

10

Exploring the binding of inhibitors derived from tetrabromobenzimidazole to the CK2 protein using a QM/MM-PB/SA approach.

Retegan M, Milet A, Jamet H. Retegan M, et al. J Chem Inf Model. 2009 Apr;49(4):963-71. doi: 10.1021/ci8004435. J Chem Inf Model. 2009. PMID: 19354274

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

39 results

Search Page

Filters