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内部出版物
院士团队服务(34)
在“
Elsevier电子期刊
”中,
命中:
729,359
条,耗时:小于0.01 秒
在所有数据库中总计命中:
34
条
1.
Mol
ecular docking and
mol
ecular dynamics simulation analyses of urea with ammoniated and ammoxidized lignin
作者:
Wenzhuo Li
;
wzli@njfu.com.cn
;
Song Zhang
;
Yingying Zhao
;
Shuaiyu Huang
;
Jiangshan Zhao
关键词:
Ammoniated lignin
;
Ammoxidized lignin
;
Mol
ecular dynamics simulations
;
Mol
ecular docking
;
Urea
刊名:Journal of
Mol
ecular Graphics and Modelling
出版年:2017
2.
Exploring the selectivity of auto-inducer complex with LuxR using
mol
ecular docking, mutational studies and
mol
ecular dynamics simulations
作者:
Sundaraj Rajamanikandan
a
;
Pappu Srinivasan
b
;
sri.bioinformatics@gmail.com
关键词:
Vibrio harveyi
;
LuxR
;
Mol
ecular docking
;
Mol
ecular dynamics simulations
;
Binding free energy
;
Structure based virtual screening
刊名:Journal of
Mol
ecular Structure
出版年:2017
3.
Mol
ecular characterization of a cDNA encoding Na
+
/K
+
/2Cl
−
cotransporter in the gill of mud crab (Scylla paramamosain) during the
mol
t cycle: Implication of its function in osmoregulation
作者:
Bin-peng Xu
a
;
Dan-dan Tu
a
;
Mao-cang Yan
b
;
Miao-an Shu
a
;
shuma@zju.edu.cn
;
Qing-jun Shao
a
关键词:
Decapod crustaceans
;
Gill structure
;
He
mol
ymph
;
Ion transporters
;
Mol
t
;
Ionoregulation
刊名:Comparative Biochemistry and Physiology Part A:
Mol
ecular & Integrative Physiology
出版年:2017
4.
Vibrational spectroscopic investigations,
mol
ecular dynamic simulations and
mol
ecular docking studies of N′-diphenylmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide
作者:
Renjith Raveendran Pillai
a
;
Vidya V. Menon
b
;
c
;
Y. Shyma Mary
d
;
Stevan Armaković
e
;
Sanja J. Armaković
f
;
C. Yohannan Panicker
a
;
d
;
cyphyp@rediffmail.com
关键词:
DFT
;
Pyrazine
;
Mol
ecular dynamics
;
FT-IR
;
FT-Raman
;
Docking
刊名:Journal of
Mol
ecular Structure
出版年:2017
5.
Meshing
mol
ecular surfaces based on analytical implicit representation
作者:
Chaoyu Quan
a
;
b
;
Benjamin Stamm
c
;
d
;
best@mathcces.rwth-aachen.de
关键词:
Mol
ecular surface
;
Solvent excluded surface
;
Mol
ecular visualization
;
Implicit representation
;
Advancing-front method
;
Meshing algorithm
刊名:Journal of
Mol
ecular Graphics and Modelling
出版年:2017
6.
Combined experimental and theoretical studies on the
mol
ecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and
mol
ecular docking
作者:
N. Issaoui
a
;
issaoui_noureddine@yahoo.fr
;
H. Ghalla
a
;
F. Bardak
b
;
M. Karabacak
c
;
N. Aouled Dlala
a
;
H.T. Flakus
d
;
B. Oujia
a
;
e
关键词:
H-bond
;
Vibrational analysis
;
AIM
;
NBO
;
Mol
ecular docking
刊名:Journal of
Mol
ecular Structure
出版年:2017
7.
Delayed onset infections after lower third
mol
ar germectomy could be related to the space distal to the second
mol
ar
作者:
G. Monaco
;
S. Cecchini
;
M.R. Gatto
;
mariarosaria.gatto@unibo.it
;
G.A. Pelliccioni
关键词:
lower third
mol
ar
;
germectomy
;
delayed onset infection
;
distal space
;
second
mol
ar
刊名:International Journal of Oral and Maxillofacial Surgery
出版年:2017
8.
Mol
d filling simulation of low pressure injection
mol
ding (LPIM) of alumina: Effect of temperature and pressure
作者:
M. Sardarian
;
O. Mirzaee
;
o_mirzaee@semnan.ac.ir" class="auth_mail" title="E-mail the corresponding author
;
A. Habibolahzadeh
关键词:
Alumina
;
Low- pressure injection
mol
ding
;
Mol
d filling simulation
;
Rheological properties
刊名:Ceramics International
出版年:2017
9.
Localization and expression of
mol
t-inhibiting hormone and nitric oxide synthase in the central nervous system of the green shore crab, Carcinus maenas, and the blackback land crab, Gecarcinus lateralis
作者:
Natalie L. Pitts
;
Donald L. Mykles
;
Donald.Mykles@ColoState.edu
关键词:
Mol
t-inhibiting hormone
;
Nitric oxide synthase
;
Immunofluorescence
;
Gene expression
;
Neuropeptide secretion
;
Crustacea
刊名:Comparative Biochemistry and Physiology Part A:
Mol
ecular & Integrative Physiology
出版年:2017
10.
Mol
ecular dynamics study of 2,2′-difurylmethane and n-propanol binary mixture
作者:
Otsile William Kgagodi
;
otsile.kgagodi@studentmail.biust.ac.bw
;
Foster Mbaiwa
关键词:
Mol
ecular dynamics simulation
;
n-Propanol
;
2
;
2&prime
;
-difurylmethane
;
Binary mixture
;
Excess
mol
ar volume
;
Radial distribution function
刊名:Journal of
Mol
ecular Liquids
出版年:2017
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