Interactive Regulation between Aliphatic Hydroxylation and Aromatic Hydroxylation of Thaxtomin D in TxtC: A Theoretical Investigation.

Hongwei Tan , Guangju Chen , Chang Yuan , Xixi Wang
Inorganic Chemistry 60 ( 9) 6433 -6445

2021
Cluster size convergence for the energetics of the oxygen evolving complex in PSII.

Per E. M. Siegbahn , Xichen Li
Journal of Computational Chemistry 38 ( 25) 2157 -2160

2
2017
30
2008
Catalytic activities of dismution reactions of Cu(bpy)Br(2) compound and its derivatives as SOD mimics: a theoretical study.

Qingxia Lu , Xichen Li , Yan Wang , Guangju Chen
Journal of Molecular Modeling 15 ( 11) 1397 -1405

4
2009
Simulation of the isotropic EXAFS spectra for the S2 and S3 structures of the oxygen evolving complex in photosystem II

Xichen Li , Per E. M. Siegbahn , Ulf Ryde
Proceedings of the National Academy of Sciences of the United States of America 112 ( 13) 3979 -3984

25
2015
Water oxidation mechanism for synthetic Co-oxides with small nuclearity.

Xichen Li , Per E. M. Siegbahn
Journal of the American Chemical Society 135 ( 37) 13804 -13813

76
2013
A theoretical study on oxidative cleavage of olefins to carbonyls catalysed by Fe(iii)-PyBisulidine.

Yafei Jiang , Xiaotong Zhang , Qiuyun Mao , Hongwei Tan
Dalton Transactions 46 ( 12) 3825 -3832

2
2017
Theoretical exploration of the cooperative effect in NMF-NMF-amino acid residue hydrogen bonding system.

Xichen Li , Wenlan Liu , Kening Sun , Yan Wang
Physical Chemistry Chemical Physics 10 ( 36) 5607 -5615

5
2008
Distal Proton Shuttle Mechanism of Ribosome Catalysed Peptide Bond Formation—A Theoretical Study

Xiaotong Zhang , Yafei Jiang , Qiuyun Mao , Hongwei Tan
Molecules 22 ( 4) 571

2017
Theoretical studies of the function switch and mechanism of AceK as a highly active ATPase

Jiajia Qin , Hongwei Tan , Xichen Li , Guangju Chen
RSC Advances 6 ( 72) 68120 -68127

1
2016
Unique Kinase Catalytic Mechanism of AceK with a Single Magnesium Ion

Quanjie Li , Jimin Zheng , Hongwei Tan , Xichen Li
PLoS ONE 8 ( 8) e72048

5
2013
A comparison between artificial and natural water oxidation.

Xichen Li , Guangju Chen , Sandra Schinzel , Per E. M. Siegbahn
Dalton Transactions 40 ( 42) 11296 -11307

30
2011
Molecular Dynamics Simulation Studies of dTTP Binding and Catalysis Mediated by YhdE Dimerization.

Nan Wang , Jiahong Jiang , Xichen Li , Hongwei Tan
PLOS ONE 10 ( 8)

7
2015
DFT studies of the degradation mechanism of methyl mercury activated by a sulfur-rich ligand.

Xichen Li , Rong-Zhen Liao , Wenchang Zhou , Guangju Chen
Physical Chemistry Chemical Physics 12 ( 16) 3961 -3971

12
2010
Alternative mechanisms for O2 release and O–O bond formation in the oxygen evolving complex of photosystem II

Xichen Li , Per E. M. Siegbahn
Physical Chemistry Chemical Physics 17 ( 18) 12168 -12174

63
2015
Phosphoryl transfer reaction catalyzed by membrane diacylglycerol kinase: a theoretical mechanism study

Yafei Jiang , Hongwei Tan , Jimin Zheng , Xichen Li
Physical Chemistry Chemical Physics 17 ( 38) 25228 -25234

1
2015
Theoretical EXAFS studies of a model of the oxygen-evolving complex of photosystem II obtained with the quantum cluster approach

Xichen Li , Eduardo M. Sproviero , Ulf Ryde , Victor S. Batista
International Journal of Quantum Chemistry 113 ( 4) 474 -478

24
2013
Function Coupling Mechanism of PhuS and HemO in Heme Degradation

Michael J. Y. Lee , Ye Wang , Yafei Jiang , Xichen Li
Scientific Reports 7 ( 1) 11273 -11273

2
2017
ONIOM investigations of the heme degradation mechanism by MhuD: the critical function of heme ruffling.

Chang Yuan , Ying Zhang , Hongwei Tan , Xichen Li
Physical Chemistry Chemical Physics 22 ( 16) 8817 -8826

3
2020