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Items: 1 to 20 of 355

1.

Revisiting the nitrosyl complex of myoglobin by high-field pulse EPR spectroscopy and quantum mechanical calculations.

Radoul M, Sundararajan M, Potapov A, Riplinger C, Neese F, Goldfarb D.

Phys Chem Chem Phys. 2010 Jul 14;12(26):7276-89. doi: 10.1039/c000652a. Epub 2010 May 20.

PMID:
20490401
2.

Structural characterization of heme ligation in the His64-->Tyr variant of myoglobin.

Maurus R, Bogumil R, Luo Y, Tang HL, Smith M, Mauk AG, Brayer GD.

J Biol Chem. 1994 Apr 29;269(17):12606-10.

5.

Theoretical analysis of the spin Hamiltonian parameters in Co(II)S4 complexes, using density functional theory and correlated ab initio methods.

Maganas D, Sottini S, Kyritsis P, Groenen EJ, Neese F.

Inorg Chem. 2011 Sep 19;50(18):8741-54. doi: 10.1021/ic200299y. Epub 2011 Aug 17.

PMID:
21848258
6.

Carboxylate binding in copper histidine complexes in solution and in zeolite Y: X- and W-band pulsed EPR/ENDOR combined with DFT calculations.

Baute D, Arieli D, Neese F, Zimmermann H, Weckhuysen BM, Goldfarb D.

J Am Chem Soc. 2004 Sep 22;126(37):11733-45.

PMID:
15366921
7.

Electronic structure of binuclear mixed valence copper azacryptates derived from integrated advanced EPR and DFT calculations.

Kababya S, Nelson J, Calle C, Neese F, Goldfarb D.

J Am Chem Soc. 2006 Feb 15;128(6):2017-29.

PMID:
16464103
9.

Pulsed EPR/ENDOR characterization of perturbations of the Cu(A) center ground state by axial methionine ligand mutations.

Slutter CE, Gromov I, Epel B, Pecht I, Richards JH, Goldfarb D.

J Am Chem Soc. 2001 Jun 6;123(22):5325-36.

PMID:
11457396
11.
12.

Planar three-coordinate high-spin Fe(II) complexes with large orbital angular momentum: Mössbauer, electron paramagnetic resonance, and electronic structure studies.

Andres H, Bominaar EL, Smith JM, Eckert NA, Holland PL, Münck E.

J Am Chem Soc. 2002 Mar 27;124(12):3012-25.

PMID:
11902893
13.

Nature of the Fe-O2 bonding in oxy-myoglobin: effect of the protein.

Chen H, Ikeda-Saito M, Shaik S.

J Am Chem Soc. 2008 Nov 5;130(44):14778-90. doi: 10.1021/ja805434m. Epub 2008 Oct 11.

PMID:
18847206
14.

Structural and spectroscopic studies of azide complexes of horse heart myoglobin and the His-64-->Thr variant.

Maurus R, Bogumil R, Nguyen NT, Mauk AG, Brayer G.

Biochem J. 1998 May 15;332 ( Pt 1):67-74.

15.

EPR parameters of amino acid radicals in P. eryngii versatile peroxidase and its W164Y variant computed at the QM/MM level.

Bernini C, Pogni R, Ruiz-Dueñas FJ, Martínez AT, Basosi R, Sinicropi A.

Phys Chem Chem Phys. 2011 Mar 21;13(11):5078-98. doi: 10.1039/c0cp02151b. Epub 2011 Feb 7.

PMID:
21301713
16.

High-field EPR spectroscopy applied to biological systems: characterization of molecular switches for electron and ion transfer.

Möbius K, Savitsky A, Schnegg A, Plato M, Fuchst M.

Phys Chem Chem Phys. 2005 Jan 7;7(1):19-42.

PMID:
19785170
17.

A density functional theory investigation of Fe-N-O bonding in heme proteins and model systems.

Zhang Y, Gossman W, Oldfield E.

J Am Chem Soc. 2003 Dec 31;125(52):16387-96.

PMID:
14692781
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