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科研机构
北京大学 [262]
内容类型
期刊论文 [235]
其他 [25]
会议论文 [2]
发表日期
2017 [23]
2016 [37]
2015 [26]
2014 [29]
2013 [29]
2012 [31]
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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
Voltage Gating of a Biomimetic Nanopore: Electrowetting of a Hydrophobic Barrier
期刊论文
ACS NANO, 2017
Trick, Jemma L.
;
Song, Chen
;
Wallace, E. Jayne
;
Sansom, Mark S. P.
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
nanopore
membrane
hydrophobic barrier
electrowetting
molecular dynamics simulation
MOLECULAR-DYNAMICS SIMULATIONS
ASSEMBLING PEPTIDE NANOTUBES
PARTICLE MESH EWALD
ELECTRIC-FIELD
ION-CHANNEL
WATER PERMEATION
MECHANOSENSITIVE CHANNEL
MEMBRANE ELECTROPORATION
POTENTIAL FUNCTIONS
CARBON NANOTUBES
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
分子动力学方法模拟不同温度下铀酰在叶腊石上的吸附和扩散行为
期刊论文
物理化学学报, 2017
张陶娜
;
徐雪雯
;
董亮
;
谭昭怡
;
刘春立
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
叶腊石
铀酰
分子动力学模拟
温度
吸附
扩散
Pyrophyllite
Uranyl
Molecular dynamic simulation
Temperature
Adsorption
Diffusion
NANOSIZED MINERAL FRACTURES
DENSITY-FUNCTIONAL MODEL
SURFACE COMPLEXATION
CARBONATE COMPLEXES
HUMIC-ACID
AQUEOUS-SOLUTION
WATER INTERFACE
FORCE-FIELD
VADOSE ZONE
KAOLINITE
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
Mechanism of Phosphorylation-Induced Folding of 4E-BP2 Revealed by Molecular Dynamics Simulations
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017
Zeng, Juan
;
Jiang, Fan
;
Wu, Yun-Doug
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
CAP-DEPENDENT TRANSLATION
LINEAR CONSTRAINT SOLVER
FORCE-FIELD
CONFORMATIONAL SWITCH
TRP-CAGE
POSTTRANSLATIONAL MODIFICATIONS
PROTEIN-PHOSPHORYLATION
DISORDERED PROTEIN
DENATURED STATE
HYDROGEN-BONDS
Single Mutations Reshape the Structural Correlation Network of the DMXAA-Human STING Complex
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2017
Che, Xing
;
Du, Xiao-Xia
;
Cai, Xiaoxia
;
Zhang, Jun
;
Xie, Wen Jun
;
Long, Zhuoran
;
Ye, Zhao-Yang
;
Zhang, Heng
;
Yang, Lijiang
;
Su, Xiao-Dong
;
Gao, Yi Qin
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2017/12/03
MOLECULAR-DYNAMICS SIMULATIONS
PROTEIN-LIGAND BINDING
2-PHASE THERMODYNAMIC MODEL
WATER-MEDIATED INTERACTIONS
CYCLIC DI-GMP
FREE-ENERGY
ENTROPY
DNA
COMPENSATION
RECOGNITION
A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017
Zhang, Zhijun
;
Liu, Xinzijian
;
Chen, Zifei
;
Zheng, Haifeng
;
Yan, Kangyu
;
Liu, Jian
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/12/03
DISSIPATIVE PARTICLE DYNAMICS
MONTE-CARLO SIMULATIONS
PATH-INTEGRAL METHODS
MANY-BODY SYSTEMS
SYMPLECTIC INTEGRATORS
STATISTICAL PHYSICS
LANGEVIN DYNAMICS
QUANTUM-SYSTEMS
ALGORITHMS
WATER
Cooperative wrapping of nanoparticles of various sizes and shapes by lipid membranes
期刊论文
SOFT MATTER, 2017
Xiong, Kai
;
Zhao, Jiayin
;
Yang, Daowen
;
Cheng, Qingwen
;
Wang, Jiuling
;
Ji, Hongbing
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2017/12/03
RECEPTOR-MEDIATED ENDOCYTOSIS
ONE-DIMENSIONAL NANOMATERIALS
CELLULAR UPTAKE
MAMMALIAN-CELLS
INTERNALIZATION
VESICLES
FUSION
PENETRATION
PARTICLES
BILAYER
Initial Decomposition of Condensed-Phase 1,3,5-Triamino-2,4,6-trinitrobenzene under Shock Loading
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
He, Zheng-Hua
;
Chen, Jun
;
Wu, Qiang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
DENSITY-FUNCTIONAL CALCULATIONS
MOLECULAR-DYNAMICS SIMULATIONS
BOND-DISSOCIATION ENERGIES
HIGH-PRESSURE
NITROAROMATIC MOLECULES
THERMAL-DECOMPOSITION
ELECTRONIC-STRUCTURE
FORCE-FIELD
BETA-HMX
TATB
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