Magistrato A - Search Results

1

Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosa.

Cascella M, Magistrato A, Tavernelli I, Carloni P, Rothlisberger U. Cascella M, et al. Among authors: magistrato a. Proc Natl Acad Sci U S A. 2006 Dec 26;103(52):19641-6. doi: 10.1073/pnas.0607890103. Epub 2006 Dec 18. Proc Natl Acad Sci U S A. 2006. PMID: 17179046 Free PMC article.

2

Three- and four-center trans effects in triply bonded ditungsten complexes: an ab initio molecular dynamics study of compounds with stoichiometry W2Cl4(NHEt)2(PMe3)2.

Magistrato A, Vondele JV, Rothlisberger U. Magistrato A, et al. Inorg Chem. 2000 Nov 27;39(24):5553-60. doi: 10.1021/ic000754e. Inorg Chem. 2000. PMID: 11154571

3

Isolation of a Highly Persistent Diphosphanyl Radical: The Phosphorus Analogue of a Hydrazyl This work was supported by the ETH Zürich and Swiss National Science Foundation.

Loss S, Magistrato A, Cataldo L, Hoffmann S, Geoffroy M, Röthlisberger U, Grützmacher H. Loss S, et al. Among authors: magistrato a. Angew Chem Int Ed Engl. 2001 Feb 16;40(4):723-726. Angew Chem Int Ed Engl. 2001. PMID: 11241603 No abstract available.

4

Cis-trans isomerization in triply-bonded ditungsten complexes: a multitude of possible pathways.

VandeVondele J, Magistrato A, Rothlisberger U. VandeVondele J, et al. Among authors: magistrato a. Inorg Chem. 2001 Nov 5;40(23):5780-6. doi: 10.1021/ic010470+. Inorg Chem. 2001. PMID: 11681885

5

Unusual Ar-H/Rh-H J(HH) NMR coupling in complexes of rhodium(III): experimental evidence and theoretical support for an eta1-arene structure.

Krumper JR, Gerisch M, Magistrato A, Rothlisberger U, Bergman RG, Tilley TD. Krumper JR, et al. Among authors: magistrato a. J Am Chem Soc. 2004 Oct 6;126(39):12492-502. doi: 10.1021/ja047665b. J Am Chem Soc. 2004. PMID: 15453783

6

Binding of novel azole-bridged dinuclear platinum(II) anticancer drugs to DNA: insights from hybrid QM/MM molecular dynamics simulations.

Magistrato A, Ruggerone P, Spiegel K, Carloni P, Reedijk J. Magistrato A, et al. J Phys Chem B. 2006 Mar 2;110(8):3604-13. doi: 10.1021/jp054828p. J Phys Chem B. 2006. PMID: 16494416

7

Anthramycin-DNA binding explored by molecular simulations.

Vargiu AV, Ruggerone P, Magistrato A, Carloni P. Vargiu AV, et al. Among authors: magistrato a. J Phys Chem B. 2006 Dec 7;110(48):24687-95. doi: 10.1021/jp063155n. J Phys Chem B. 2006. PMID: 17134232

8

Density functional theory studies on copper phenanthroline complexes.

Robertazzi A, Magistrato A, de Hoog P, Carloni P, Reedijk J. Robertazzi A, et al. Among authors: magistrato a. Inorg Chem. 2007 Jul 23;46(15):5873-81. doi: 10.1021/ic0618908. Epub 2007 Jun 22. Inorg Chem. 2007. PMID: 17585756

9

Protonation state and substrate binding to B2 metallo-beta-lactamase CphA from Aeromonas hydrofila.

Simona F, Magistrato A, Vera DM, Garau G, Vila AJ, Carloni P. Simona F, et al. Among authors: magistrato a. Proteins. 2007 Nov 15;69(3):595-605. doi: 10.1002/prot.21476. Proteins. 2007. PMID: 17623844

10

Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.

Spiegel K, Magistrato A, Maurer P, Ruggerone P, Rothlisberger U, Carloni P, Reedijk J, Klein ML. Spiegel K, et al. Among authors: magistrato a. J Comput Chem. 2008 Jan 15;29(1):38-49. doi: 10.1002/jcc.20739. J Comput Chem. 2008. PMID: 17705162

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