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CNKI期刊论文0611(15)
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CNKI学位论文(3124)
知网期刊论文(3527)
在“
SpringerLink电子期刊
”中,
命中:
2,631
条,耗时:0.0309855 秒
在所有数据库中总计命中:
6,712
条
1.
Potential acetylcholinesterase inhibitors:
molecular
docking
,
molecular
dynamics, and in silico prediction
作者:
Alessandra S. Kiametis
;
Mônica A. Silva…
关键词:
AChE inhibitors design
;
Molecular
docking
;
Molecular
dynamics
;
In silico prediction
刊名:Journal of
Molecular
Modeling
出版年:2017
2.
Molecular
Docking
, Molecular Dynamics Simulations, 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 simulations
;
In vitro assays
刊名:Applied Biochemistry and Biotechnology
出版年:2017
3.
Inhibition of pro-/active MMP-2 by green tea catechins and prediction of their interaction by
molecular
docking
studies
作者:
Animesh Chowdhury
;
Suman Kumar Nandy…
关键词:
MMP
2 ;
proMMP
2 ;
MT1
;
MMP
;
Green tea catechin
;
PASMC
;
Molecular
docking
analysis
刊名:
Molecular
and Cellular Biochemistry
出版年:2017
4.
Combined 3D-QSAR modeling and
molecular
docking
study on spiro-derivatives as inhibitors of acetyl-CoA carboxylase
作者:
Jian Gao
;
Jie Sun
;
Tao Wang
;
Shen Sheng
;
Tonghui Huang
关键词:
Acetyl
;
CoA carboxylase
;
3D
;
QSAR
;
CoMFA
;
CoMSIA
;
Molecular
docking
刊名:Medicinal Chemistry Research
出版年:2017
5.
Pharmacoinformatics and
molecular
docking
studies reveal potential novel Proline Dehydrogenase (PRODH) compounds for Schizophrenia inhibition
作者:
Sheikh Arslan Sehgal
关键词:
Schizophrenia
;
Pharmacophore identification
;
Structure prediction and
molecular
Docking
;
PRODH
;
Virtual screening
;
Computer
;
aided drug designing
刊名:Medicinal Chemistry Research
出版年:2017
6.
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
7.
Synthesis, characterization, preliminary SAR and
molecular
docking
study of some novel substituted imidazo[2,1-
b
][1,3,4]thiadiazole derivatives as antifungal agents
作者:
Mustafa Er
;
Buğracan Ergüven
;
Hakan Tahtaci…
关键词:2 ;
Amino
;
[1
3 ;
4]thiadiazole
;
Imidazo[2
1 ;
b][1
3 ;
4]thiadiazole
;
Phenacyl bromide
;
Molecular
docking
;
Antifungal activity
;
SAR
刊名:Medicinal Chemistry Research
出版年:2017
8.
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
9.
Identification of novel inhibitors of HCV NS3 protease genotype 3 subtype B through
molecular
docking
studies of phytochemicals from
Boerhavia diffusa
L
作者:
G. R. JunaBeegum
;
Amjesh Revikumar
;
S. SuharaBeevy…
关键词:
Boerhaviadiffusa
;
Hepatitis C virus
;
NS3 protease
;
Phytochemicals
;
Molecular
docking
;
Liriodendrin
刊名:Medicinal Chemistry Research
出版年:2017
10.
2-(chromon-3-yl)imidazole derivatives as potential antimicrobial agents: synthesis, biological evaluation and
molecular
docking
studies
作者:
Shweta Sharma
;
Vishal Sharma
;
Gurpreet Singh
;
Harpreet Kaur…
关键词:3 ;
Formylchromones
2 ;
Chromonylimidazoles
;
Antibacterial activity
;
Antifungal activity
;
Molecular
docking
刊名:Journal of Chemical Biology
出版年:2017
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