相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures
Mitsuo Shoji et al.
FARADAY DISCUSSIONS (2017)
Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL
Michihiro Suga et al.
NATURE (2017)
Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures
Mitsuo Shoji et al.
FARADAY DISCUSSIONS (2017)
Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II
Jimin Wang et al.
ACS ENERGY LETTERS (2017)
Computational investigations of S3 structures related to a recent X-ray free electron laser study
Per E. M. Siegbahn
CHEMICAL PHYSICS LETTERS (2017)
Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II
Daniele Narzi et al.
BIOPHYSICAL CHEMISTRY (2017)
A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II
Daniele Narzi et al.
CHEMISTRY-A EUROPEAN JOURNAL (2017)
Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II
Hiroshi Isobe et al.
INORGANIC CHEMISTRY (2016)
Spin State as a Marker for the Structural Evolution of Nature's Water Splitting Catalyst
Vera Krewald et al.
INORGANIC CHEMISTRY (2016)
Dynamics of the Special Pair of Chlorophylls of Photosystem II
Daniele Narzi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction
Mikhail Askerka et al.
BIOCHEMISTRY (2016)
Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics
Daniele Bovi et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2016)
Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition
Matteo Capone et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Structure of photosystem II and substrate binding at room temperature
Iris D. Young et al.
NATURE (2016)
Theoretical study of the EPR spectrum of the S3TyrZaEuro¢ metalloradical intermediate state of the O2-evolving complex of photosystem II
Georgia Zahariou et al.
PHOTOSYNTHESIS RESEARCH (2016)
Resolving the Differences Between the 1.9 Å and 1.95 Å Crystal Structures of Photosystem II: A Single Proton Relocation Defines Two Tautomeric Forms of the Water-Oxidizing Complex
Simon Petrie et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
The Structure of Photosystem II and the Mechanism of Water Oxidation in Photosynthesis
Jian-Ren Shen
ANNUAL REVIEW OF PLANT BIOLOGY, VOL 66 (2015)
Analysis of the Radiation-Damage-Free X-ray Structure of Photosystem II in Light of EXAFS and QM/MM Data
Mikhail Askerka et al.
BIOCHEMISTRY (2015)
Characterization of the Sr2+- and Cd2+-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations
Fabio Pitari et al.
BIOCHEMISTRY (2015)
Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex
Matteo Capone et al.
BIOCHEMISTRY (2015)
Electron transfer pathways from the S2-states to the S3-states either after a Ca2+/Sr2+ or a Cl-/I- exchange in Photosystem II from
Alain Boussac et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2015)
Strong Coupling between the Hydrogen Bonding Environment and Redox Chemistry during the S2 to S3 Transition in the Oxygen-Evolving Complex of Photosystem II
Hiroshi Isobe et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Alternative mechanisms for O-2 release and O-O bond formation in the oxygen evolving complex of photosystem II
Xichen Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Metal oxidation states in biological water splitting
Vera Krewald et al.
CHEMICAL SCIENCE (2015)
Native structure of photosystem II at 1.95 angstrom resolution viewed by femtosecond X-ray pulses
Michihiro Suga et al.
NATURE (2015)
Magnetic interactions in the catalyst used by nature to split water: a DFT plus U multiscale study on the Mn4CaO5 core in photosystem II
Daniele Bovi et al.
NEW JOURNAL OF PHYSICS (2014)
Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II
Daniele Narzi et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)
Electronic structure of the oxygenevolving complex in photosystem II prior to O-O bond formation
Nicholas Cox et al.
SCIENCE (2014)
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
Daniele Bovi et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Water oxidation mechanism in photosystem II, including oxidations, proton release pathways, O-O bond formation and O2 release
Per E. M. Siegbahn
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2013)
Artificial photosynthesis as a frontier technology for energy sustainability
Thomas Faunce et al.
ENERGY & ENVIRONMENTAL SCIENCE (2013)
Two Interconvertible Structures that Explain the Spectroscopic Properties of the Oxygen-Evolving Complex of Photosystem II in the S2 State
Dimitrios A. Pantazis et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Exploring the energetics of water permeation in photosystem II by multiple steered molecular dynamics simulations
Sergey Vassiliev et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2012)
Mechanism of light induced water splitting in Photosystem II of oxygen evolving photosynthetic organisms
Gernot Renger
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2012)
Theoretical illumination of water-inserted structures of the CaMn4O5 cluster in the S-2 and S-3 states of oxygen-evolving complex of photosystem II: full geometry optimizations by B3LYP hybrid density functional
H. Isobe et al.
DALTON TRANSACTIONS (2012)
Mechanisms for proton release during water oxidation in the S-2 to S-3 and S-3 to S-4 transitions in photosystem II
Per E. M. Siegbahn
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Synthetic model of the asymmetric [Mn3CaO4] cubane core of the oxygen-evolving complex of photosystem II
Shreya Mukherjee et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
S1-State Model of the O2-Evolving Complex of Photosystem II
Sandra Luber et al.
BIOCHEMISTRY (2011)
Possible mechanisms for the O-O bond formation in oxygen evolution reaction at the CaMn4O5(H2O)4 cluster of PSII refined to 1.9 Å X-ray resolution
S. Yamanaka et al.
CHEMICAL PHYSICS LETTERS (2011)
Theoretical Evaluation of Structural Models of the S2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions
William Ames et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å
Yasufumi Umena et al.
NATURE (2011)
Metalloradical EPR Signals from the Y-Z center dot S-State Intermediates in Photosystem II
Kajsa G. V. Havelius et al.
APPLIED MAGNETIC RESONANCE (2010)
Photosynthetic energy conversion: natural and artificial
James Barber
CHEMICAL SOCIETY REVIEWS (2009)
Complete EPR Spectrum of the S3-State of the Oxygen-Evolving Photosystem II
Alain Boussac et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
Cyanobacterial photosystem II at 2.9-Å resolution and the role of quinones, lipids, channels and chloride
Albert Guskov et al.
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2009)
On the structure of the manganese complex of photosystem II: extended-range EXAFS data and specific atomic-resolution models for four S-states
Holger Dau et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES (2008)
In situ formation of an oxygen-evolving catalyst in neutral water containing phosphate and Co2+
Matthew W. Kanan et al.
SCIENCE (2008)
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
Joost VandeVondele et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
The S1YZ• metalloradical EPR signal of photosystem II contains two distinct components that advance respectively to the multiline and g=4.1 conformations of S2
George Sioros et al.
BIOCHEMISTRY (2007)
O-O bond formation in the S4 state of the oxygen-evolving complex in photosystem II
Per E. M. Siegbahn
CHEMISTRY-A EUROPEAN JOURNAL (2006)
Comparison of multiple amber force fields and development of improved protein backbone parameters
Viktor Hornak et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
Trapping of the S2 to S3 state intermediate of the oxygen-evolving complex of photosystem II
Nikolaos Ioannidis et al.
BIOCHEMISTRY (2006)
Towards complete cofactor arrangement in the 3.0 Å resolution structure of photosystem II
B Loll et al.
NATURE (2005)
An efficient real space multigrid OM/MM electrostatic coupling
T Laino et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
J VandeVondele et al.
COMPUTER PHYSICS COMMUNICATIONS (2005)
Architecture of the photosynthetic oxygen-evolving center
KN Ferreira et al.
SCIENCE (2004)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Electron transfer from the water oxidizing complex at cryogenic temperatures:: The S1 to S2 step
JHA Nugent et al.
BIOCHEMISTRY (2002)
Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution
A Zouni et al.
NATURE (2001)
分享论文
