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科研机构
北京大学 [27]
内容类型
期刊论文 [25]
其他 [2]
发表日期
2017 [2]
2016 [7]
2015 [4]
2014 [4]
2013 [2]
2012 [1]
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共27条,第1-10条
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专题:北京大学
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Significantly Improved Protein Folding Thermodynamics Using a Dispersion-Corrected Water Model and a New Residue-Specific Force Field
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017
Wu, Hao-Nan
;
Jiang, Fan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
MOLECULAR-DYNAMICS SIMULATIONS
INTRINSICALLY DISORDERED PROTEINS
ALPHA-HELIX FORMATION
SIDE-CHAIN
BACKBONE PARAMETERS
AMBER FF99SB
PEPTIDES
COOPERATIVITY
ACCURACY
EXCHANGE
The low-bias conducting mechanism of single-molecule junctions constructed with methylsulfide linker groups and gold electrodes
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017
Wang, Minglang
;
Wang, Yongfeng
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
ATOMIC-SCALE JUNCTIONS
QUANTUM INTERFERENCE
TRANSPORT
DEVICES
DIODES
CHARGE
OLIGOTHIOPHENES
RECTIFICATION
COORDINATION
PATHWAYS
Accurate Structure Prediction and Conformational Analysis of Cyclic Peptides with Residue-Specific Force Fields
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016
Geng, Hao
;
Pang, Fan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
EXCHANGE MOLECULAR-DYNAMICS
SMALL PROTEINS
AMBER FF99SB
MODELS
CYCLOPEPTIDES
OPTIMIZATION
TEMPLATES
SEARCH
DESIGN
MOTIFS
CRISPRi-Manipulation of Genetic Code Expansion via RF1 for Reassignment of Amber Codon in Bacteria
期刊论文
SCIENTIFIC REPORTS, 2016
Zhang, Bo
;
Yang, Qi
;
Chen, Jingxian
;
Wu, Ling
;
Yao, Tianzhuo
;
Wu, Yiming
;
Xu, Huan
;
Zhang, Lihe
;
Xia, Qing
;
Zhou, Demin
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
SEQUENCE-SPECIFIC CONTROL
AMINO-ACID-INCORPORATION
ESCHERICHIA-COLI
PROTEIN-SYNTHESIS
RELEASE FACTORS
EXPRESSION
EFFICIENT
PLATFORM
SYSTEM
CELLS
Quantitative Interpretation of the Low-Bias Conductance of Au-Mesitylene-Au Molecular Junctions Formed from Mesitylene Monolayers
期刊论文
CHEMPHYSCHEM, 2016
Wang, Hao
;
Jiang, Zhuoling
;
Wang, Yongfeng
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
density functional theory
molecular junctions
molecule-substrate interaction
non-equilibrium green&apos
scanning tunneling microscopy
VACUUM LEVEL SHIFTS
METAL-SURFACES
ELECTRONIC TRANSPORT
SINGLE MOLECULES
DEVICES
1ST-PRINCIPLES
ADSORPTION
BENZENE
STATES
APPROXIMATION
s function
Origin of the periodic structure in the conductance curve of gold nanojunctions in hydrogen environment
期刊论文
PHYSICAL REVIEW B, 2016
Jiang, Zhuoling
;
Wang, Hao
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
MOLECULAR ELECTRONIC DEVICES
NANOWIRES
TRANSPORT
AU
IMPURITIES
AG
Cu-metalated carbyne acting as a promising molecular wire
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016
Tu, Xingchen
;
Wang, Hao
;
Shen, Ziyong
;
Wang, Yongfeng
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
ATOMIC CARBON CHAINS
CONTAINING POLY-YNES
ELECTRON-TRANSPORT
LINEAR CARBON
TRANSITION
NANOTUBE
DEVICES
GRAPHENE
Current-induced phonon renormalization in molecular junctions
期刊论文
PHYSICAL REVIEW B, 2016
Bai, Meilin
;
Cucinotta, Clotilde S.
;
Jiang, Zhuoling
;
Wang, Hao
;
Wang, Yongfeng
;
Rungger, Ivan
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/04
ENHANCED RAMAN-SPECTROSCOPY
SINGLE-MOLECULE
ELECTRON-TRANSPORT
SYSTEMS
FIELDS
STATES
AU
AG
Effects of the molecule-electrode interface on the low-bias conductance of Cu-H-2-Cu single-molecule junctions
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016
Jiang, Zhuoling
;
Wang, Hao
;
Shen, Ziyong
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/04
TRANSPORT
DEVICES
CONTACTS
AU
AG
DNA Structural Correlation in Short and Long Ranges
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015
Gu, Chan
;
Zhang, Jun
;
Yang, Y. Isaac
;
Chen, Xi
;
Ge, Hao
;
Sun, Yujie
;
Su, Xiaodong
;
Yang, Lijiang
;
Xie, Sunney
;
Gao, Yi Qin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
MOLECULAR-DYNAMICS SIMULATIONS
POLYMERASE BINDING-SITE
NUCLEIC-ACID STRUCTURES
AMBER FORCE-FIELD
B-DNA
NUCLEOTIDE-SEQUENCE
ADENINE TRACT
BASE-PAIRS
PROTEIN
RNA
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