中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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金属研究所 [12]
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期刊论文 [39]
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Advances in MS Based Strategies for Probing Ligand-Target Interactions: Focus on Soft Ionization Mass Spectrometric Techniques
期刊论文
OAI收割
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 17
作者:
Chen, Guilin
;
Fan, Minxia
;
Liu, Ye
;
Sun, Baoqing
;
Liu, Meixian
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2020/10/04
ligand-target interactions
mass spectrometry
soft ionization
drug discovery
ESI-MS
MALDI-MS
CHARMM-GUI 10 years for biomolecular modeling and simulation
期刊论文
OAI收割
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 15, 页码: 1114-1124
作者:
Jo, Sunhwan
;
Cheng, Xi
;
Lee, Jumin
;
Kim, Seonghoon
;
Park, Sang-Jun
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/01/08
Coarse-grained simulation
Glycan
Membranes
mmCIF
Protein-ligand interactions
Shape Memory Polymers Based on Supramolecular Interactions
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2017, 卷号: 9, 期号: 24, 页码: 20276-20293
作者:
Li, BJ (reprint author), Chinese Acad Sci, Chengdu Inst Biol, Chengdu 610041, Peoples R China.
;
Zhang, S (reprint author), Sichuan Univ, State Key Lab Polymer Mat Engn, Polymer Res Inst, Chengdu 610065, Peoples R China.
;
Zhang, S
;
Li, BJ
;
Pan, M
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2018/08/28
Shape Memory Polymers
Supramolecular Interactions
Hydrogen Bonding
Host-guest Interaction
Hydrophobic Interaction
Metal-ligand Coordination
Ionic Interaction
Mechanokinetics of receptor-ligand interactions in cell adhesion
期刊论文
OAI收割
Acta Mechanica Sinica, 2015, 卷号: 31, 期号: 2, 页码: 248-258
作者:
Li N(李宁)
;
Lv SQ(吕守琴)
;
Zhang Y(章燕)
;
Long M(龙勉)
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2015/07/21
Receptor-ligand interactions
Selectins
beta(2) integrins
2D binding kinetics
Gas Sorption Studies on a Microporous Coordination Polymer Assembled from 2D Grid Layers by Strong pi-pi Interactions
期刊论文
OAI收割
CHEMISTRY-AN ASIAN JOURNAL, 2014, 卷号: 9, 期号: 3, 页码: 901-907
作者:
Lv, Xiaoxia
;
Li, Liangjun
;
Sun, Xiaoming
;
Zhang, Hongyu
;
Cai, Jinjun
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2015/11/02
coordination polymers
diphosphonate ligand
hysteresis sorption
pi interactions
polymers
Insights into TIM-Barrel Prenyl Transferase Mechanisms: Crystal Structures of PcrB from Bacillus subtilis and Staphylococcus aureus
期刊论文
OAI收割
CHEMBIOCHEM, 2013, 卷号: 14, 期号: 2, 页码: 195-199
作者:
Ren, Feifei
;
Feng, Xinxin
;
Ko, Tzu-Ping
;
Huang, Chun-Hsiang
;
Hu, Yumei
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2016/06/23
biosynthesis
crystal structure
enzyme-ligand interactions
prenyl transferases
TIM barrel
Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity
期刊论文
OAI收割
current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2246-2258
Zheng XL
;
Liu ZJ
;
Li D
;
Wang EK
;
Wang J
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2014/04/20
EMPIRICAL SCORING FUNCTIONS
SMALL-MOLECULE INHIBITOR
SELF-ORGANIZING MAP
MARKETED ORAL-DRUGS
LIGAND INTERACTIONS
FLEXIBLE DOCKING
AUTOMATED DOCKING
BINDING-AFFINITY
GENETIC ALGORITHM
COMPOUND COLLECTIONS
Optimizing Scoring Function of Protein-Nucleic Acid Interactions with Both Affinity and Specificity
期刊论文
OAI收割
plos one, 2013, 卷号: 8, 期号: 9, 页码: 文献号: e74443
Yan ZQ
;
Wang J
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2014/04/15
KNOWLEDGE-BASED POTENTIALS
COMPUTATIONAL REDESIGN
DOCKING BENCHMARK
MEAN FORCE
MOLECULAR RECOGNITION
BINDING-AFFINITY
DNA INTERACTIONS
ENERGY FUNCTION
LIGAND-BINDING
DATA-BANK
Energetic factors determining the binding of type I inhibitors to c-Met kinase: experimental studies and quantum mechanical calculations
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 11, 页码: 1475-1483
作者:
Yu Zhe
;
Ma Yuchi
;
Ai Jing
;
Chen Danqi
;
Zhao Dongmei
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/02/02
SULFUR-PI INTERACTIONS
PERTURBATION-THEORY
SUBSTITUENTS
SANDWICH
BENZENE
PATHWAY
receptor tyrosine kinase
type I c-Met inhibitor
cancer
quantum chemistry
protein-ligand interaction
symmetry-adapted perturbation theory (SAPT)
Energetic factors determining the binding of type I inhibitors to c-Met kinase: experimental studies and quantum mechanical calculations
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 11, 页码: 1475-1483
作者:
Yu Zhe
;
Ma Yuchi
;
Ai Jing
;
Chen Danqi
;
Zhao Dongmei
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/02/02
SULFUR-PI INTERACTIONS
PERTURBATION-THEORY
SUBSTITUENTS
SANDWICH
BENZENE
PATHWAY
receptor tyrosine kinase
type I c-Met inhibitor
cancer
quantum chemistry
protein-ligand interaction
symmetry-adapted perturbation theory (SAPT)