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山东大学 [11]
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期刊论文 [11]
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2009 [2]
2008 [1]
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Effect of Metal Ions on Radical Type and Proton-Coupled Electron Transfer Channel: sigma-Radical vs pi-Radical and sigma-Channel vs pi-Channel in the Imide Units
期刊论文
Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological, 2009, 卷号: 30, 期号: 16, 页码: 2694-2705
作者:
Chen, XH
;
Xing, DX
;
Zhang, L
;
Cukier, RI
;
Bu, YX
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/26
proton-coupled electron transfer
radical type
electron transfer channel
hydrated cation modulation
imide unit
density functional theory calculations
Hetero-Ring-Expansion Design for Adenine-Based DNA Motifs: Evidence from DFT Calculations and Molecular Dynamics Simulations
期刊论文
The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical, 2009, 卷号: 113, 期号: 13, 页码: 4407-4412
作者:
Han L
;
Li HF
;
Cukier RI
;
Bu YX
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/26
EXPANDED GUANINE ANALOGS
NUCLEIC-ACID
BUILDING-BLOCKS
AB-INITIO
PAIRING PROPERTIES
GENETIC ALPHABET
B-DNA
SIZE
TRANSITION
HELIX
Solvation of excess electrons in LiF ionic pair matrix: Evidence for a solvated dielectron from ab initio molecular dynamics simulations and calculations
期刊论文
The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical, 2008, 卷号: 112, 期号: 12, 页码: 3767-3772
作者:
Zhang L
;
Yan S
;
Cukier RI
;
Bu YX
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/26
METAL HALIDE SOLUTIONS
WATER-CLUSTER ANIONS
HYDRATED ELECTRON
COMPUTER-SIMULATION
ABSORPTION-SPECTRUM
SURFACE
STATES
LOCALIZATION
DENSITY
AMMONIA
Ca2+ selectivity of the sarcoplasmic reticulum Ca2+-ATPase at the enzyme-water interface and in the Ca2+ entrance channel
期刊论文
The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical, 2007, 卷号: 111, 期号: 42, 页码: 12282-12293
作者:
Xiang F
;
Cukier RI
;
Bu Y
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  |  
浏览/下载:10/0
  |  
提交时间:2019/12/27
CATION-PI INTERACTIONS
CRYSTAL-STRUCTURE
CALCIUM-CHANNELS
VALENCE SELECTIVITY
ION-BINDING
COMPLEXES
DENSITY
PROTEINS
GLYCINE
PUMP
Factors determining the deriving force of DNA formation: Geometrical differences of base pairs, dehydration of bases, and the arginine assisting
期刊论文
The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical, 2007, 卷号: 111, 期号: 7, 页码: 1802-1808
作者:
Sun LX
;
Cukier RI
;
Bu YX
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/27
MOLECULAR-ORBITAL CALCULATIONS
ESCHERICHIA-COLI
ELECTRON-AFFINITIES
CRYSTAL-STRUCTURE
POLYMERASE-I
STRUCTURAL REFINEMENT
NUCLEAR EXTRACTS
PROTON-TRANSFER
G.T MISPAIRS
RADICAL IONS
Theoretical prediction of the p53 gene mutagenic mechanism induced by trans-4-hydroxy-2-nonenal
期刊论文
The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical, 2007, 卷号: 111, 期号: 19, 页码: 5362-5371
作者:
Xing DX
;
Sun LX
;
Cukier RI
;
Bu YX
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/27
LIPID-PEROXIDATION PRODUCT
DEFINED 1
N-2-DEOXYGUANOSINE ADDUCTS
4-HYDROXYNONENAL PROTEIN ADDUCTS
NUCLEOTIDE EXCISION-REPAIR
CANCER MUTATIONAL HOTSPOTS
DNA-REPLICATION
UPDATED COMPILATION
MAMMALIAN-CELLS
HUMAN TUMORS
BASE-PAIRS
Electron bridging dihydrogen bond in the imidazole-contained anion derivatives
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2006, 卷号: 124, 期号: 12
作者:
Yan, SH
;
Bu, YX
;
Cukier, RI
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2020/01/03
Proton character of the peptide unit in the Ca2+-binding sites of calcium pump
期刊论文
The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical, 2006, 卷号: 110, 期号: 22, 页码: 11005-11013
作者:
Li HF
;
Bu YX
;
Yan SH
;
Li P
;
Cukier RI
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2020/01/03
CHEMICAL-SHIFTS
SARCOPLASMIC-RETICULUM
COUPLING-CONSTANTS
CRYSTAL-STRUCTURE
RABBIT MUSCLE
ION-TRANSPORT
MECHANISM
ATPASES
GUANINE
BINDING
Hydration effect on interaction mode between glutamic acid and Ca2+ and its biochemical implication: a theoretical exploration
期刊论文
NEW JOURNAL OF CHEMISTRY, 2006, 卷号: 30, 期号: 6, 页码: 890-900
作者:
Xiang, F
;
Li, P
;
Yan, SH
;
Sun, LX
;
Cukier, RI
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2020/01/03
Structural character and energetics of tyrosyl radical formation by electron/proton transfers of a covalently linked histidine-tyrosine: A model for cytochrome c oxidase
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 卷号: 109, 期号: 46, 页码: 22013-22026
作者:
Bu, YX
;
Cukier, RI
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  |  
浏览/下载:2/0
  |  
提交时间:2020/01/03
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