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CNKI期刊论文0611(75)
在“
SpringerLink电子期刊
”中,
命中:
5,938
条,耗时:0.1079473 秒
在所有数据库中总计命中:
26,574
条
1.
Molecular
Docking, Molecular
Dynamic
s
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
dynamic
s
simulation
s
;
In vitro assays
刊名:Applied Biochemistry and Biotechnology
出版年:2017
2.
Lessons learned from comparing
molecular
dynamic
s engines on the SAMPL5 dataset
作者:
Michael R. Shirts
;
Christoph Klein…
关键词:
Molecular
dynamic
s
;
Simulation
validation
;
Molecular
simulation
;
SAMPL5
刊名:Journal of Computer-Aided
Molecular
Design
出版年:2017
3.
Computational evaluation of glutamine synthetase as drug target against infectious diseases:
molecular
modeling, substrate-binding analysis, and
molecular
dynamic
s
simulation
studies
作者:
Nidhi Singh
;
Mohammad Imran Siddiqi
关键词:
Glutamine synthetase
;
Homology modeling
;
Molecular
dynamic
s
simulation
s
;
Binding site identification
;
Structure
;
guided drug design
;
Infectious diseases
刊名:Medicinal Chemistry Research
出版年:2017
4.
Identification of lead BAY60-7550 analogues as potential inhibitors that utilize the hydrophobic groove in PDE2A: a
molecular
dynamic
s
simulation
study
作者:
Jitendra Kumar
;
Tarana Umar
;
Tasneem Kausar…
关键词:
BAY60
;
7550
;
PDE2A
;
Hydrophobic
;
Molecular
dynamic
s
simulation
刊名:Journal of
Molecular
Modeling
出版年:2017
5.
Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug: a
molecular
dynamic
s
simulation
study
作者:
Zohre Hasanzade
;
Heidar Raissi
关键词:
Charmm27 Force Field
;
Graphene
;
based nanomaterial
;
Molecular
dynamic
s
simulation
s
;
Paclitaxel anti
;
cancer drug
刊名:Journal of
Molecular
Modeling
出版年:2017
6.
Molecular
dynamic
s
simulation
of persistent slip bands formation in nickel-base superalloys
作者:
Jian-Feng Huang
;
Zhong-Lai Wang
;
Er-Fu Yang…
关键词:
Persistent slip bands (PSB)
;
molecular
dynamic
s
;
superalloys
;
computational
simulation
;
embedded atom model (EAM)
刊名:International Journal of Automation and Computing
出版年:2017
7.
The plastoquinol–plastoquinone exchange mechanism in photosystem II: insight from
molecular
dynamic
s
simulation
s
作者:
Veranika Zobnina
;
Maya D. Lambreva
;
Giuseppina Rea…
关键词:
Photosystem II
;
plastoquinone
;
Plastoquinol
;
Protein
dynamic
s
;
Molecular
dynamic
s
simulation
s
;
Plastoquinol release mechanism
刊名:Photosynthesis Research
出版年:2017
8.
Glycerol revisited
molecular
dynamic
simulation
s of structural,
dynamic
al, and thermo
dynamic
properties
作者:
Monireh B. Moghaddam
;
Elaheh K. Goharshadi…
关键词:
Molecular
dynamic
s
simulation
;
Glycerol
;
Viscosity
;
Solubility parameters
刊名:Journal of the Iranian Chemical Society
出版年:2017
9.
Emergence of hydrogen bonds from
molecular
dynamic
s
simulation
of substituted
N
-phenylthiourea–catechol oxidase complex
作者:
Kyung-Lae Park
关键词:
Molecular
mechanics
;
Catechol oxidase
;
Molecular
dynamic
s
;
Hydrogen bond
刊名:Archives of Pharmacal Research
出版年:2017
10.
Generation of new leads as HIV-1 integrase inhibitors: 3D QSAR, docking and
molecular
dynamic
s
simulation
作者:
Vivek K. Vyas
;
Shreya Shah
;
Manjunath Ghate
关键词:
HIV
;
1 IN inhibitors
;
Hydroxamic acid derivatives
;
3D QSAR
;
Docking
;
Molecular
dynamic
s
simulation
刊名:Medicinal Chemistry Research
出版年:2017
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