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科研机构
复旦大学上海医学院 [20]
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期刊论文 [20]
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2019 [2]
2018 [4]
2017 [2]
2016 [4]
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专题:复旦大学上海医学院
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First-Principles Calculations of Angular and Strain Dependence on Effective Masses of Two-Dimensional Phosphorene Analogues (Monolayer alpha-Phase Group-IV Monochalcogenides MX)
期刊论文
MOLECULES, 2019, 卷号: 24, 期号: 3
作者:
Zhang, Hao
;
Xu, Ke
;
Xu, Yuanfeng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/05
first-principles calculations
phosphorene analogues
effective mass
anisotropic property
In Silico Identification of Novel Aromatic Compounds as Potential HIV-1 Entry Inhibitors Mimicking Cellular Receptor CD4
期刊论文
VIRUSES-BASEL, 2019, 卷号: 11, 期号: 8
作者:
Kornoushenko, Yuri V.
;
Tuzikov, Alexander V.
;
Jiang, Shibo
;
Andrianov, Alexander M.
;
Nikolaev, Grigory I.
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/12/05
HIV-1 gp120 protein
cellular receptor CD4
CD4-mimetics
virtual screening
in silico click chemistry
molecular docking
quantum chemical calculations
molecular dynamics simulations
binding free energy calculations
anti-HIV-1 drugs
High-accuracy multi-configuration Dirac-Hartree-Fock calculations of the energy levels and transition properties of Ga-like to Br-like gadolinium ions
期刊论文
ATOMIC DATA AND NUCLEAR DATA TABLES, 2018, 卷号: 123
作者:
Li, M. C.
;
Guo, X. L.
;
Wang, K.
;
Si, R.
;
Zhang, C. Y.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/05
Calculations for energies, transition rates, and lifetimes in Al-like Kr XXIV
期刊论文
ATOMIC DATA AND NUCLEAR DATA TABLES, 2018, 卷号: 121
作者:
Zhang, C. Y.
;
Si, R.
;
Liu, Y. W.
;
Yao, K.
;
Wang, K.
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/05
Al-like Kr XXIV
Many-body perturbation theory
Energy levels
Lifetimes
Wavelengths
Transition rates
The coexistence of copy number variations (CNVs) and single nucleotide polymorphisms (SNPs) at a locus can result in distorted calculations of the significance in associating SNPs to disease
期刊论文
HUMAN GENETICS, 2018, 卷号: 137, 期号: 6-7
作者:
Liu, Jiaqi
;
Zhou, Yangzhong
;
Liu, Sen
;
Song, Xiaofei
;
Yang, Xin-Zhuang
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/12/05
Extended calculations of energy levels, radiative properties, A(J), B-J hyperfine interaction constants, and Lande g(J)-factors for nitrogen-like Ge XXVI
期刊论文
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2018, 卷号: 208
作者:
Wang, K.
;
Zhang, C. Y.
;
Jonsson, P.
;
Si, R.
;
Zhao, X. H.
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/05
Atomic data
Nitrogen-like Ge
Multiconfiguration Dirac-Hartree-Fock
Many-body perturbation theory
Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Lande grfactors in nitrogen-like Kr XXX
期刊论文
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2017, 卷号: 187
作者:
Wang, K.
;
Li, S.
;
Jonsson, P.
;
Fu, N.
;
Dang, W.
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/05
Atomic data
N-like Kr
Multiconfiguration Dirac-Fock method
Many-body perturbation theory
Inhibitory Mechanism of Epigallocatechin Gallate on Fibrillation and Aggregation of Amidated Human Islet Amyloid Polypeptide
期刊论文
CHEMPHYSCHEM, 2017, 卷号: 18, 期号: 12
作者:
Xu, Zhi-Xue
;
Ma, Gong-Li
;
Zhang, Qiang
;
Chen, Cong-Heng
;
He, Yan-Ming
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/05
epigallocatechin gallate
human islet amyloid polypeptide
hydrophobic interactions
quantum chemical calculations
pi-pi interactions
EXTENDED RELATIVISTIC CONFIGURATION INTERACTION AND MANY-BODY PERTURBATION CALCULATIONS OF SPECTROSCOPIC DATA FOR THE N <= 6 CONFIGURATIONS IN Ne-LIKE IONS BETWEEN Cr XV AND Kr XXVII
期刊论文
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, 2016, 卷号: 226, 期号: 2
作者:
Wang, K.
;
Chen, Z. B.
;
Si, R.
;
Jonsson, P.
;
Ekman, J.
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/05
atomic data
atomic processes
Calculations with spectroscopic accuracy for the ground configuration (3d(9)) forbidden transition in Co-like ions
期刊论文
PHYSICAL REVIEW A, 2016, 卷号: 93, 期号: 1
作者:
Guo, X. L.
;
Si, R.
;
Li, S.
;
Huang, M.
;
Hutton, R.
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/05
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