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浏览/检索结果:
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A Machine Learning Model to Classify Dynamic Processes in Liquid Water**
期刊论文
CHEMPHYSCHEM, 2022
作者:
Huang, Jie
;
Huang, Gang
;
Li, Shiben
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/01/16
JUMP MECHANISM
CLUSTERS
EXCHANGE
SPECTROSCOPY
DIFFUSION
NETWORKS
CELL
Role of an Ice Surface in the Photoreaction of Coumarins
期刊论文
LANGMUIR, 2022, 卷号: 38, 期号: 37, 页码: 11346-11353
作者:
Zhang, Shizhong
;
Zhang, Chuanbiao
;
Fu, Yang
;
Li, Linhai
;
Huang, Chuanbing
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/01/16
SINGLE-CRYSTALS
CHEMISTRY
WATER
PHOTOCHEMISTRY
CYCLOADDITION
ADSORPTION
REACTIVITY
CHLORIDE
COMPLEX
LIGHT
Discovery of Coumarin as Microtubule Affinity-Regulating Kinase 4 Inhibitor That Sensitize Hepatocellular Carcinoma to Paclitaxel
期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 366
作者:
Shen, Xianyan
;
Liu, Xuesha
;
Wan, Shunli
;
Fan, Xin
;
He, Huaiyu
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2021/11/04
MARK4
paclitaxel
Hepatocellular carcinoma
drug resistance
inhibitor
Ultrafast Excited-State Energy Transfer in DTDCTB Dimers Embedded in a Crystal Environment: Quantum Dynamics with the Multilayer Multiconfigurational Time-Dependent Hartree Method
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 49, 页码: 27263-27273
作者:
Jiang, Shengshi
;
Zheng, Jie
;
Xie, Yu
;
Lan Zhenggang
;
Lan, Zhenggang
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  |  
浏览/下载:31/0
  |  
提交时间:2018/01/05
A novel 3-D bio-microfluidic system mimicking in vivo heterogeneous tumour microstructures reveals complex tumour-stroma interactions
期刊论文
LAB ON A CHIP, 2017, 卷号: 17, 期号: 16, 页码: 2852-2860
作者:
Liu, LY
;
Tian, CX
;
Farrell, JD
;
Diao, WW
;
Wang, XC
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  |  
浏览/下载:55/0
  |  
提交时间:2017/12/21
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:
Wu, SG
;
Jiang, MQ
;
Liu, L
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
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  |  
浏览/下载:17/0
  |  
提交时间:2017/10/13
Molecular Dynamics Simulation
T7 Rna Polymerase
Ppi Release
Potential Of Mean Force
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:
Wu, SG
;
Jiang, MQ
;
Liu, L
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  |  
浏览/下载:109/0
  |  
提交时间:2019/04/08
Molecular dynamics simulation
PARTICLE MESH EWALD
T7 RNA polymerase
MOLECULAR-DYNAMICS
PPi release
TRANSLOCATION
Potential of mean force
DNA
Adsorption of uranyl on hydroxylated alpha-SiO2(001): a first-principle study
期刊论文
DALTON TRANSACTIONS, 2015, 卷号: 44, 期号: 4, 页码: 1646-1654
作者:
Wang H(王会)
;
Chai ZF(柴之芳)
;
Wang DQ(王东琪)
;
Wang, H
;
Chai, ZF
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  |  
浏览/下载:31/0
  |  
提交时间:2016/04/18
Electric-field-induced structural and electronic changes and decomposition of an energetic complex: a computational study on zinc carbohydrazide perchlorate crystals
期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 29, 页码: 22601-22608
作者:
Li, Zhimin
;
Huang, Huisheng
;
Zhang, Tonglai
;
Zhang, Guoqing
;
Zhang, Fulan
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/05/12
SPARK SENSITIVITY
HIGH-PRESSURE
GRAPHENE NANORIBBONS
HYDROSTATIC-PRESSURE
MOLECULAR-DYNAMICS
TEMPERATURE
INITIATION
EXPLOSIVES
NITRAMINES
1ST-PRINCIPLES
Spectroscopic study and electronic structure of prototypical iron porphyrins and their mu-oxo-dimer derivatives with different functional configurations
期刊论文
RSC ADVANCES, 2014, 卷号: 4, 期号: 87, 页码: 46399-46406
作者:
Xu W(徐伟)
;
Xu, W
;
Dziedzic-Kocurek, K
;
Yu, M
;
Wu, Z
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  |  
浏览/下载:18/0
  |  
提交时间:2016/04/08
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