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Wiley电子期刊(2)
SpringerLink电子期刊(30)
Elsevier电子期刊(31)
ACS电子期刊(27)
在“
Elsevier电子期刊
”中,
命中:
31
条,耗时:小于0.01 秒
在所有数据库中总计命中:
90
条
1.
Discovery of furan carboxylate derivatives as novel inhibitors of ATP-citrate lyase via virtual high-throughput screening
作者:
Finith E. Jernigan
a
;
1
;
Jun-ichi Hanai
b
;
c
;
Vikas P. Sukhatme
b
;
c
;
d
;
Lijun Sun
a
;
lsun1@bidmc.harvard.edu
关键词:
Virtual screening
;
Furoic acid
;
ATP citrate lyase inhibitor
;
Cancer metabolism
;
Cancer stemness
刊名:Bioorganic & Medicinal Chemistry Letters
出版年:2017
2.
In vitro and in silico studies of the interaction of three tetrazoloquinazoline derivatives with DNA and BSA and their cytotoxicity activities against MCF-7, HT-29 and DPSC cell lines
作者:
Maryam Mohamadi
a
;
m.mohamadi794@gmail.com
;
Asadollah Hassankhani
b
;
S. Yousef Ebrahimipour
c
;
Masoud Torkzadeh-Mahani
d
关键词:
BSA and DNA interaction
;
Molecular docking
;
Spectroscopic techniques
;
MTT assays
;
[1
23 ;
4]tetrazolo[5
;
1-b]-quinazolin-8-one derivatives
刊名:International Journal of Biological Macromolecules
出版年:2017
3.
Structural insight into the glucokinase-ligands interactions. Molecular docking study
作者:
Elena Ermakova
ermakova@kibb.knc.ru" class="auth_mail" title="E-mail the corresponding author
关键词:
Glucokinase
;
Activators
;
Docking
;
Interaction energy
;
AutoDock
;
Vina
刊名:Computational Biology and Chemistry
出版年:2016
4.
Machine learning optimization of cross docking accuracy
作者:
Esben J. Bjerrum
esbenbjerrum@gmail.com" class="auth_mail" title="E-mail the corresponding author
关键词:
Molecular docking
;
Docking power
;
Scoring function
;
Machine learning optimization
;
Smina
;
Autodock
Vina
;
Drug discovery
;
Cross docking
刊名:Computational Biology and Chemistry
出版年:2016
5.
Structure of ‘linkerless’ hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket
作者:
Alexa A. Tabackman
a
;
Rochelle Frankson
b
;
Eric S. Marsan
a
;
Kay Perry
c
;
Kathryn E. Cole
a
;
kathryn.cole@cnu.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Histone deacetylase 8
;
Histone deacetylase inhibitors (HDACi)
;
Hydroxamic acids
;
AutoDock
Vina
刊名:Journal of Structural Biology
出版年:2016
6.
Mechanisms of interaction between persistent organic pollutants (POPs) and CYP2B6: An in silico approach
作者:
Wilson Maldonado-Rojas
a
;
Karen Rivera-Julio
a
;
Jesus Olivero-Verbel
a
;
joliverov@unicartagena.edu.co" class="auth_mail" title="E-mail the corresponding author
;
Diana S. Aga
b
关键词:
Xenobiotic
;
Environmental pollutant
;
Molecular docking
;
AutoDock
Vina
刊名:Chemosphere
出版年:2016
7.
Computational docking, molecular dynamics simulation and subsite structure analysis of a maltogenic amylase from Bacillus lehensis G1 provide insights into substrate and product specificity
作者:
Nor Hasmaliana Abdul Manas
a
;
Farah Diba Abu Bakar
b
;
Rosli Md. Illias
a
;
r-rosli@utm.my" class="auth_mail" title="E-mail the corresponding author
关键词:
Maltogenic amylase
;
Homology modeling
;
Molecular docking
;
AutoDock
Vina
;
Subsite structure
刊名:Journal of Molecular Graphics and Modelling
出版年:2016
8.
BACE1 molecular docking and anti-Alzheimer's disease activities of ginsenosides
作者:
Ran Joo Choi
a
;
1
;
Anupom Roy
b
;
1
;
Hee Jin Jung
b
;
Md. Yousof Ali
b
;
Byung-Sun Min
c
;
Chan Hum Park
c
;
Takako Yokozawa
d
;
Tai-Ping Fan
a
;
Jae Sue Choi
b
;
choijs@pknu.ac.kr" class="auth_mail" title="E-mail the corresponding author
;
Hyun Ah Jung
e
;
jungha@jbnu.ac.kr" class="auth_mail" title="E-mail the corresponding author
关键词:
Anti-Alzheimer's disease
;
Ginsenosides
;
Molecular docking simulation
;
BACE1
;
Cholinesterase
刊名:Journal of Ethnopharmacology
出版年:2016
9.
Herbalog: A tool for target-based identification of herbal drug efficacy through molecular docking
作者:
Yan Wang
a
;
1
;
Jian-Shu Hu
a
;
1
;
Huang-Quan Lin
b
;
Tsz-Ming Ip
a
;
David Chi-Cheong Wan
a
;
chicheongwan@cuhk.edu.hk" class="auth_mail" title="E-mail the corresponding author
关键词:
Herbalog
;
Natural product
;
Virtual screening
;
Molecular docking
;
FABP4 inhibitor
;
Andrographis paniculata
刊名:Phytomedicine
出版年:2016
10.
Exploring isoxazole and carboxamide derivatives as potential non-nucleoside reverse transcriptase inhibitors
作者:
Sudheer S. Kurup
;
Kaustubh A. Joshi
;
ka.joshi@ictmumbai.edu.in" class="auth_mail" title="E-mail the corresponding author
;
joshi.kaustubh.ashok@gmail.com" class="auth_mail" title="E-mail the corresponding author
关键词:
NNRTI
;
Molecular docking
;
Enrichment factor
;
Hydrogen bonded interaction
刊名:Journal of Molecular Graphics and Modelling
出版年:2016
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