Detalhe da pesquisa
1.
Evolution from S3 to S4 States of the Oxygen-Evolving Complex in Photosystemâ II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics.
Chemistry
; 24(42): 10820-10828, 2018 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-29660163
2.
Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics.
Biochim Biophys Acta
; 1857(10): 1669-77, 2016 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-27444240
3.
A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystemâ II.
Chemistry
; 23(29): 6969-6973, 2017 May 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-28342185
4.
Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II.
Proc Natl Acad Sci U S A
; 111(24): 8723-8, 2014 Jun 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-24889635
5.
Dynamics of the Special Pair of Chlorophylls of Photosystem II.
J Am Chem Soc
; 138(1): 257-64, 2016 Jan 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-26587662
6.
Reorganization of substrate waters between the closed and open cubane conformers during the S2 to S3 transition in the oxygen evolving complex.
Biochemistry
; 54(42): 6439-42, 2015 Oct 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-26466193
7.
Characterization of the Sr(2+)- and Cd(2+)-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations.
Biochemistry
; 54(38): 5959-68, 2015 Sep 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-26346422
8.
The impact of nitric oxide toxicity on the evolution of the glutathione transferase superfamily: a proposal for an evolutionary driving force.
J Biol Chem
; 288(34): 24936-47, 2013 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-23828197
9.
Environmental effects on vibrational properties of carotenoids: experiments and calculations on peridinin.
Phys Chem Chem Phys
; 13(47): 20954-64, 2011 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-21946923
10.
The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state.
Angew Chem Int Ed Engl
; 52(45): 11744-11749, 2013 Nov 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-24115467
11.
Effects of Static Correlation between Spin Centers in Multicenter Transition Metal Complexes.
J Chem Theory Comput
; 13(10): 4675-4683, 2017 Oct 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-28763210
12.
Mechanism of Water Delivery to the Active Site of Photosystem II along the S(2) to S(3) Transition.
J Phys Chem Lett
; 7(3): 592-6, 2016 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-26799278
13.
Fermi resonance as a tool for probing peridinin environment.
J Phys Chem B
; 118(22): 5873-81, 2014 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-24754506