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Springer电子图书(3)
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知网期刊论文(1876)
在“
SpringerLink电子期刊
”中,
命中:
797
条,耗时:0.0199879 秒
在所有数据库中总计命中:
3,335
条
1.
Molecular
Docking
, Molecular Dynamics
Simulation
s, Computational Screening to Design Quorum Sensing Inhibitors Targeting LuxP of
Vibrio harveyi
and Its Biological Evaluation
作者:
Sundaraj Rajamanikandan
;
Jeyaraman Jeyakanthan…
关键词:
Quorum sensing
;
Boronic acid derivatives
;
Molecular
docking
;
Molecular dynamics
simulation
s
;
In vitro assays
刊名:Applied Biochemistry and Biotechnology
出版年:2017
2.
Exploration of the binding properties of the human serum albumin sites with neurology drugs by
docking
and molecular dynamics
simulation
作者:
Fatemeh S. Alavi
;
Rahim Ghadari
;
Mansour Zahedi
关键词:
Neurology drugs
;
Human serum albumin
;
Docking
;
MD
simulation
;
MMGBSA
;
Half
;
life
刊名:Journal of the Iranian Chemical Society
出版年:2017
3.
Generation of new leads as HIV-1 integrase inhibitors: 3D QSAR,
docking
and molecular dynamics
simulation
作者:
Vivek K. Vyas
;
Shreya Shah
;
Manjunath Ghate
关键词:
HIV
;
1 IN inhibitors
;
Hydroxamic acid derivatives
;
3D QSAR
;
Docking
;
Molecular dynamics
simulation
刊名:Medicinal Chemistry Research
出版年:2017
4.
In vitro monoamine oxidase A and B inhibitory activity and molecular
docking
simulation
s of fucoxanthin
作者:
Hyun Ah Jung
;
Anupom Roy
;
Jae Sue Choi
关键词:
Fucoxanthin
;
Monoamine oxidase
;
Kinetic
;
Docking
;
Parkinson’s disease
刊名:Fisheries Science
出版年:2017
5.
Design, synthesis, in silico and biological evaluation of novel 2-(4-(4-substituted piperazin-1-yl)benzylidene)hydrazine carboxamides
作者:
Shikha Kumari
;
Chandra Bhushan Mishra
;
Danish Idrees
;
Amresh Prakash…
关键词:
CAII inhibitors
;
Docking
;
Drug design and discovery
;
Piperazine
;
hydrazine carboxamide derivatives
;
MD
simulation
刊名:Molecular Diversity
出版年:2017
6.
Docking
and molecular dynamics studies on triclosan derivatives binding to FabI
作者:
Xuyun Yang
;
Junrui Lu
;
Ming Ying
;
Jiangbei Mu
;
Peichun Li…
关键词:
Enoyl
;
ACP reductase
;
MM
;
PBSA
;
Molecular dynamics
simulation
;
Triclosan
刊名:Journal of Molecular Modeling
出版年:2017
7.
Structural exploration of PPARγ modulators through pharmacophore mapping, fragment-based design,
docking
, and molecular dynamics
simulation
analyses
作者:
Ashis Nandy
;
Kunal Roy
;
Achintya Saha
关键词:
Type 2 diabetes mellitus (T2DM)
;
PPARγ
;
Ligand
;
based pharmacophore
e ;
pharmacophore
;
HQSAR
;
Bayesian model
;
Molecular dynamics
刊名:Medicinal Chemistry Research
出版年:2017
8.
Identification of lead BAY60-7550 analogues as potential inhibitors that utilize the hydrophobic groove in PDE2A: a molecular dynamics
simulation
study
作者:
Jitendra Kumar
;
Tarana Umar
;
Tasneem Kausar…
关键词:
BAY60
;
7550
;
PDE2A
;
Hydrophobic
;
Molecular dynamics
simulation
刊名:Journal of Molecular Modeling
出版年:2017
9.
Absolute binding free energies for octa-acids and guests in SAMPL5
作者:
Florentina Tofoleanu
;
Juyong Lee…
关键词:
Binding free energy
simulation
s
;
Thermodynamic integration
;
Hamiltonian replica exchange
;
Bennett acceptance ratio
;
Double decoupling method
;
Molecular dynamics
simulation
s
;
GalaxyDock
;
HG
刊名:Journal of Computer-Aided Molecular Design
出版年:2017
10.
Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge
作者:
Juyong Lee
;
Florentina Tofoleanu…
关键词:
Absolute binding free energy calculation
;
Hamiltonian replica exchange
;
Thermodynamic integration
;
Bennett’s acceptance ratio
;
Double decoupling scheme
;
Host
;
guest complexes
;
Constant
;
pH
simulation
刊名:Journal of Computer-Aided Molecular Design
出版年:2017
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