中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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大连化学物理研究所 [45]
上海药物研究所 [42]
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期刊论文 [231]
发表日期
2019 [231]
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Biochemist... [5]
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共231条,第1-10条
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发表日期:2019
内容类型:期刊论文
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Deciphering molecular mechanism behind conformational change of the Sao Paolo metallo-beta-lactamase 1 by using enhanced sampling
期刊论文
OAI收割
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 页码: 12
作者:
Chen, Jianzhong
;
Wang, Jinan
;
Pang, Laixue
;
Wang, Wei
;
Zhao, Juan
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
Sao paolo metallo-beta-lactamase-1
REMD simulations
normal mode analysis
principal component analysis
drug resistance of antibiotics
Rational Coarse-Grained Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 50, 页码: 10582-10593
作者:
Manandhar, Anjela
;
Chakraborty, Kaushik
;
Tang, Phu K.
;
Kang, Myungshim
;
Zhang, Pengcheng
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2020/07/01
Dipeptide Self-Assembled Hydrogels with Tunable Mechanical Properties and Degradability for 3D Bioprinting
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 50, 页码: 46419-46426
作者:
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/03/24
peptide
hydrogel
3D bioprinting
mechanical property
tumor spheroid
Studies on the physical properties variations of protic ionic liquid during NH3 absorption
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2019, 卷号: 296, 页码: 7
作者:
Yang, Bingbing
;
Shang, Dawei
;
Tu, Wenhui
;
Zeng, Shaojuan
;
Bai, Lu
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/03/24
Protic ionic liquid
NH3 absorption
Density variation
Viscosity variation
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules
期刊论文
OAI收割
BIOINFORMATICS, 2019, 卷号: 35, 期号: 24, 页码: 5354-5356
作者:
Li, Zhaojun
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
;
Xiong, Zhaoping
  |  
收藏
  |  
浏览/下载:229/0
  |  
提交时间:2020/07/01
Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 184, 页码: 23
作者:
Zou, Yi
;
Hu, Yue
;
Ge, Shushan
;
Zheng, Yingbo
;
Li, Yuezhen
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2020/07/01
IDO1
Heme
T cell
Cancer immunotherapy
Virtual screening
Drug design
Molecular dynamics simulation
Enhanced co-deformation of a heterogeneous nanolayered Cu/Ni composite
期刊论文
OAI收割
JOURNAL OF APPLIED PHYSICS, 2019, 卷号: 126, 期号: 21, 页码: 9
作者:
Wang YD
;
Li JJ
;
Lu WJ
;
Yuan FP(袁福平)
;
Wu XL(武晓雷)
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收藏
  |  
浏览/下载:27/0
  |  
提交时间:2020/03/11
A Consensus Framework of Distributed Multiple-Tilt Reconstruction in Electron Tomography
期刊论文
OAI收割
JOURNAL OF COMPUTATIONAL BIOLOGY, 2019, 页码: 11
作者:
Wang, Zihao
;
Zhang, Jingrong
;
Gao, Weifang
;
Liu, Zhiyong
;
Wan, Xiaohua
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/12/10
consensus optimization
cryoelectron tomography
multiple-tilt reconstruction
parallel computing
TxBR
Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: UNSP 109151
作者:
Fu XQ(付雪琼)
;
Liang LH(梁立红)
;
Wei YG(魏悦广)
  |  
收藏
  |  
浏览/下载:89/0
  |  
提交时间:2019/12/17
Interface energy
Interface slip
Dislocation network
Atomistic simulation
Design, synthesis, and biological evaluation of thieno[3,2-d]pyrimidine derivatives as potential simplified phosphatidylinositol 3-kinase alpha inhibitors
期刊论文
OAI收割
CHEMICAL BIOLOGY & DRUG DESIGN, 2019, 卷号: 94, 期号: 6, 页码: 2013-2022
作者:
Yang, Xiuyan
;
Deng, Meng
;
Zhang, Xi
;
Wang, Yi
;
Song, Kun
  |  
收藏
  |  
浏览/下载:32/0
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提交时间:2020/07/01
PI3K alpha inhibitors
proliferation inhibition
thieno[3
2-d]pyrimidine derivatives