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期刊论文 [8]
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2014 [1]
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2012 [1]
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Interaction and Mechanism between Imidazolium Ionic Liquids and the Zwitterionic Amino Acid Tyr: a DFT Study
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 10
作者:
Wu, Zhiwei
;
Ding, Weilu
;
Zhang, Yaqin
;
Wang, Yanlei
;
He, Hongyan
收藏
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浏览/下载:24/0
  |  
提交时间:2021/08/31
Ionic liquids
Zwitterionic amino acid
Interaction and mechanism
Hydrogen bond effect
Van der Weals effect
Theoretical study on molecular packing and electronic structure of bi-1,3,4-oxadiazole derivatives
期刊论文
Rsc Advances, 2014, 卷号: 4, 期号: 94, 页码: 51942-51949
Wang H. T.
;
Bai F. Q.
;
Jia X. S.
;
Cao D.
;
Kumar R. M.
;
Bredas J. L.
;
Qu S. N.
;
Bai B. L.
;
Zhang H. X.
;
Li M.
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浏览/下载:35/0
  |  
提交时间:2015/04/24
Energetic factors determining the binding of type I inhibitors to c-Met kinase: experimental studies and quantum mechanical calculations
期刊论文
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 11, 页码: 1475-1483
作者:
Yu, Zhe
;
Ma, Yu-chi
;
Ai, Jing
;
Chen, Dan-qi
;
Zhao, Dong-mei
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/01/08
receptor tyrosine kinase
type I c-Met inhibitor
cancer
quantum chemistry
protein-ligand interaction
symmetry-adapted perturbation theory (SAPT)
Theoretical characters and nature of the intermolecular lithium bonded interactions B center dot center dot center dot LiCN/LiNC (B = pyridine, furan and thiophene)
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1017, 页码: 153-158
作者:
Zheng, Baishu
;
Hou, Bo
;
Wang, Zhaoxu
;
Yi, Pinggui
;
Wu, Junyong
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  |  
浏览/下载:23/0
  |  
提交时间:2019/04/09
Lithium Bond
Intermolecular Interaction
Mp2
Nbo
Aim
Sapt
Energetic factors determining the binding of type I inhibitors to c-Met kinase: experimental studies and quantum mechanical calculations
期刊论文
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:24/0
  |  
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
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:32/0
  |  
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)
A theoretical exploration of unexpected amine center dot center dot center dot pi interactions
期刊论文
http://dx.doi.org/10.1039/c2cp00025c, 2012
Yang, Ting
;
An, Juan-Juan
;
Wang, Xin
;
Wu, De-Yin
;
Chen, Wenbo
;
Fossey, John S.
;
吴德印
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  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
INVESTIGATE INTERMOLECULAR INTERACTIONS
ADAPTED PERTURBATION-THEORY
HYBRID DENSITY FUNCTIONALS
KOHN-SHAM ORBITALS
LONE-PAIR
NONCOVALENT INTERACTIONS
AROMATIC RINGS
HEXAFLUOROBENZENE INTERACTION
THERMOCHEMICAL KINETICS
PROTEIN STRUCTURES
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浏览/下载:0/0
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