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科研机构
北京大学 [74]
内容类型
期刊论文 [60]
其他 [13]
会议论文 [1]
发表日期
2017 [2]
2016 [7]
2015 [7]
2014 [4]
2013 [8]
2012 [6]
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专题:北京大学
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T7 RNA polymerase translocation is facilitated by a helix opening on the fingers domain that may also prevent backtracking
期刊论文
NUCLEIC ACIDS RESEARCH, 2017
Da, Lin-Tai
;
E, Chao
;
Shuai, Yao
;
Wu, Shaogui
;
Su, Xiao-Dong
;
Yu, Jin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
MARKOV STATE MODELS
MOLECULAR-DYNAMICS
STRUCTURAL BASIS
CONFORMATIONAL DYNAMICS
ELONGATION COMPLEXES
GENOME INSTABILITY
TRANSCRIPTION
TRANSITION
SIMULATIONS
INITIATION
Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations with Polarization Model and Integrated Tempering Enhanced Sampling Method
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2017
Kan, Zigui
;
Zhu, Qang
;
Yang, Lijiang
;
Huang, Zhixiong
;
Jin, Biaobing
;
Ma, Jing
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
1,3-DIMETHYLIMIDAZOLIUM CHLORIDE
GLUCOSE SOLVATION
FORCE-FIELDS
SOLVENTS
WATER
NMR
DEFINITION
POLAR
Interactions of 1-hydroxypyrene with bovine serum albumin: insights from multi-spectroscopy, docking and molecular dynamics simulation methods
期刊论文
RSC ADVANCES, 2016
Zhang, Jing
;
Chen, Weixiao
;
Tang, Bowen
;
Zhang, Wei
;
Chen, Linfeng
;
Duan, Ying
;
Zhu, Yuxiu
;
Zhu, Yaxian
;
Zhang, Yong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
POLYCYCLIC AROMATIC-HYDROCARBONS
BINDING-SITE
SUBDOMAIN IB
PROTEIN
FLUORESCENCE
SPECTRA
PYRENE
ACID
DRUG
RIBOFLAVIN
Conformation switching of AIM2 PYD domain revealed by NMR relaxation and MD simulation
期刊论文
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2016
Wang, Haobo
;
Yang, Lijiang
;
Niu, Xiaogang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
AIM2
PYD
NMR
MD
Conformation exchange
MAGNETIC-RESONANCE RELAXATION
MODEL-FREE APPROACH
INFLAMMASOME
DNA
MACROMOLECULES
INFORMATION
ACTIVATION
MECHANISMS
SELECTION
SOFTWARE
Intrinsically disordered regions stabilize the helical form of the C-terminal domain of RfaH: A molecular dynamics study
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2016
Xun, Sangni
;
Jiang, Fan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/04
MD simulation
Intrinsic disorder
RfaH
Salt-bridge
Protein
alpha-Helix
TRANSCRIPTION FACTOR
CONFORMATIONAL TRANSFORMATION
BINDING AFFINITIES
ESCHERICHIA-COLI
ALPHA-HELIX
AMINO-ACIDS
PROTEIN
FIELD
SIMULATIONS
ELONGATION
Recoverable Slippage Mechanism in Multilayer Graphene Leads to Repeatable Energy Dissipation
期刊论文
ACS NANO, 2016
Wei, Xiaoding
;
Meng, Zhaoxu
;
Ruiz, Luis
;
Xia, Wenjie
;
Lee, Changgu
;
Kysar, Jeffrey W.
;
Hone, James C.
;
Keten, Sinan
;
Espinosa, Horacio D.
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
graphene
slippage
stacking nonlinearity
energy dissipation
strength
FEW-LAYER GRAPHENE
BILAYER GRAPHENE
SINGLE-LAYER
NANOCOMPOSITES
NANOWIRES
STACKING
GRAPHITE
MODEL
Effectiveness of the Young-Laplace equation at nanoscale
期刊论文
SCIENTIFIC REPORTS, 2016
Liu, Hailong
;
Cao, Guoxin
收藏
  |  
浏览/下载:106/0
  |  
提交时间:2017/12/03
MOLECULAR-DYNAMICS SIMULATIONS
CARBON NANOTUBE MEMBRANES
ENERGY-ABSORPTION SYSTEM
SURFACE-TENSION
WATER TRANSPORT
PRESSURE
INFILTRATION
NANOPORES
MECHANISM
BEHAVIOR
High adsorption capacity of heavy metals on two-dimensional MXenes: an ab initio study with molecular dynamics simulation
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016
Guo, Xun
;
Zhang, Xitong
;
Zhao, Shijun
;
Huang, Qing
;
Xue, Jianming
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
TOTAL-ENERGY CALCULATIONS
WAVE BASIS-SET
TITANIUM CARBIDE
LEAD ADSORPTION
STORAGE
INTERCALATION
DIFFUSION
TI3ALC2
Complex fields in heterogeneous materials under shock: modeling, simulation and analysis
期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2016
Xu, AiGuo
;
Zhang, GuangCai
;
Ying, YangJun
;
Wang, Cheng
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
complex fields
heterogeneous material
molecular dynamics
material point method
discrete Boltzmann model
MATERIAL POINT METHOD
VOID GROWTH
LATTICE BOLTZMANN
DUCTILE FRACTURE
POROUS MATERIAL
HYPERVELOCITY IMPACT
MOLECULAR-DYNAMICS
COALESCENCE
IMPURITIES
NUCLEATION
Folding Thermodynamics and Mechanism of Five Trp-Cage Variants from Replica-Exchange MD Simulations with RSFF2 Force Field
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015
Zhou, Chen-Yang
;
Jiang, Fan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
MOLECULAR-DYNAMICS SIMULATIONS
FREE-ENERGY LANDSCAPE
EXPLICIT SOLVENT
UNFOLDED STATE
MINI-PROTEIN
MINIPROTEIN
WATER
INTERMEDIATE
RESOLUTION
PEPTIDES
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