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在“
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”中,
命中:
11,708
条,耗时:0.1319369 秒
在所有数据库中总计命中:
26,210
条
1.
Design, synthesis,
molecular
modeling
and biological evaluation of novel 2,3-dihydrophthalazine-1,4-dione derivatives as potential anticonvulsant agents
作者:
Abdel Ghany A. El-Helby
a
;
Rezk R. Ayyad
a
;
b
;
Helmy M. Sakr
a
;
Adel S. Abdelrahim
a
;
K. El-Adl
a
;
Farag S. Sherbiny
c
;
d
;
Ibrahim H. Eissa
a
;
ibrahimeissa@azhar.edu.eg
;
Mohamed M. Khalifa
a
;
khalifa_mohamed22@yahoo.com
关键词:2 ;
3-Dihydrophthalazine-1
;
4-dione
;
Molecular
modeling
;
Anticonvulsant
;
GABA-A
刊名:Journal of
Molecular
Structure
出版年:2017
2.
New N- and O-arylpiperazinylalkyl pyrimidines and 2-methylquinazolines derivatives as 5-HT
7
and 5-HT
1A
receptor ligands: Synthesis, structure-activity relationships, and
molecular
modeling
studies
作者:
Sebastiano Intagliata
a
;
1
;
s.intagliata@studium.unict.it
;
Maria N. Modica
a
;
1
;
Valeria Pittalà
;
a
;
Loredana Salerno
a
;
Maria A. Siracusa
a
;
Alfredo Cagnotto
b
;
Mario Salmona
b
;
Rafał Kurczab
c
;
Giuseppe Romeo
a
关键词:
5-HT7 receptor ligands
;
5-HT1A receptor ligands
;
Long-chain arylpiperazines
;
Molecular
modeling
刊名:Bioorganic & Medicinal Chemistry
出版年:2017
3.
Drug-protein binding of Danhong injection and the potential influence of drug combination with aspirin: Insight by ultrafiltration LC-MS and
molecular
modeling
作者:
Junfeng Zhu
;
Xiaojiao Yi
;
Peng Huang
;
Shuqing Chen
;
Yongjiang Wu
;
yjwu@zju.edu.cn
关键词:
Drug-protein binding
;
Danhong injection
;
Aspirin
;
Human serum albumin
;
Ultrafiltration LC&ndash
;
MS
;
Molecular
modeling
刊名:Journal of Pharmaceutical and Biomedical Analysis
出版年:2017
4.
Synthesis, anticholinesterase activity and
molecular
modeling
study of novel carbamate-substituted thymol/carvacrol derivatives
作者:
Belma Zengin Kurt
a
;
Isil Gazioglu
b
;
Aydan Dag
a
;
Ramin Ekhteiari Salmas
c
;
Gü
;
lru Kayık
d
;
Serdar Durdagi
c
;
serdar.durdagi@med.bau.edu.tr
;
Fatih Sonmez
e
;
fsonmez@sakarya.edu.tr
关键词:
Thymol
;
Carvacrol
;
Carbamate
;
Alzheimer&rsquo
;
s disease
;
Molecular
docking
;
Molecular
dynamics (MD) simulations
;
MM-PBSA
;
Induced fit docking (IFD)
刊名:Bioorganic & Medicinal Chemistry
出版年:2017
5.
Spectral and
molecular
modeling
investigations of supra
molecular
complexes of mefenamic acid and aceclofenac with α- and β-cyclodextrin
作者:
S. Siva
a
;
sivas7686@yahoo.co.in
;
S. Kothai Nayaki
b
;
N. Rajendiran
a
关键词:
Mefenamic acid
;
Aceclofenac
;
Cyclodextrin
;
Inclusion complex
;
TEM
;
Molecular
modeling
刊名:Spectrochimica Acta Part A:
Molecular
and Bio
molecular
Spectroscopy
出版年:2017
6.
Structural-conformational aspects of tRNA complexation with chloroethyl nitrosourea derivatives: A
molecular
modeling
and spectroscopic investigation
作者:
Shweta Agarwal
a
;
b
;
Gunjan Tyagi
b
;
Deepti Chadha
a
;
b
;
Ranjana Mehrotra
a
;
b
;
ranjana@nplindia.org
关键词:
CENUs
;
Molecular
modeling
;
FTIR spectroscopy
;
CD spectroscopy
;
Drug-RNA interaction
刊名:Journal of Photochemistry and Photobiology B: Biology
出版年:2017
7.
Novel thrombopoietin mimetic peptides bind c-Mpl receptor: Synthesis, biological evaluation and
molecular
modeling
作者:
Yaquan Liu
a
;
Fang Tian
a
;
Dejuan Zhi
a
;
Haiqing Wang
a
;
Chunyan Zhao
a
;
zhaochy07@lzu.edu.cn
;
Hongyu Li
b
;
zhaocy0225@hotmail.com
关键词:
Thrombopoietin mimetic peptide
;
c-Mpl receptor
;
Molecular
modeling
刊名:Bioorganic & Medicinal Chemistry
出版年:2017
8.
Geometric and electrostatic
modeling
using
molecular
rigidity functions
作者:
Lin Mu
a
;
mul1@ornl.gov" class="auth_mail" title="E-mail the corresponding author
;
Kelin Xia
b
;
xiakelin@ntu.edu.sg" class="auth_mail" title="E-mail the corresponding author
;
Guowei Wei
c
;
d
;
e
;
wei@math.msu.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Flexibility rigidity index
;
Rigidity function
;
Molecular
surface
;
Curvature
刊名:Journal of Computational and Applied Mathematics
出版年:2017
9.
In vivo evaluation of an Ultra-fast Disintegrating Wafer matrix: A
molecular
simulation approach to the ora-mucoadhesivity
作者:
Deshika Reddy
a
;
Yahya E. Choonara
a
;
Pradeep Kumar
a
;
Mershen Govender
a
;
Sunaina Indermun
a
;
Lisa C. du Toit
a
;
Leith C.R. Meyer
b
;
Viness Pillay
a
;
viness.pillay@wits.ac.za
关键词:
Oramucosal drug delivery
;
Wafer matrix
;
Rapid disintegration
;
In vivo permeabilty
;
Molecular
modeling
;
Mucoadhesivity
刊名:Journal of Drug Delivery Science and Technology
出版年:2017
10.
Spectroscopic, calorimetric, cyclic voltammetric and
molecular
modeling
studies of new methylene blue-polyadenylic acid interaction and comparison to thionine and toluidine blue O: Understanding self-structure formation by planar dyes
作者:
Puja Paul
a
;
b
;
Soumya Sundar Mati
b
;
1
;
Subhash Chandra Bhattacharya
b
;
Gopinatha Suresh Kumar
a
;
gskumar@iicb.res.in" class="auth_mail" title="E-mail the corresponding author
;
gsk.iicb@gmail.com" class="auth_mail" title="E-mail the corresponding author
关键词:
Phenothiazinium dyes
;
Poly(A)
;
Thermodynamics
;
Self-structure
;
Modeling
刊名:Dyes and Pigments
出版年:2017
1
2
3
4
5
6
7
8
9
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