设为首页
收藏本站
网站地图
|
English
|
公务邮箱
About the library
Background
History
Leadership
Organization
Readers' Guide
Opening Hours
Collections
Help Via Email
Publications
Electronic Information Resources
常用资源
电子图书
期刊论文
学位会议
外文资源
特色专题
内部出版物
中国地质文献-英文(7)
SpringerLink电子期刊(8901)
GSW全文库(75)
Wiley电子期刊(472)
ProQuest学位论文(84)
Elsevier电子期刊(25679)
Springer电子图书(58)
NATURE电子期刊(380)
ACS电子期刊(14163)
在“
Elsevier电子期刊
”中,
命中:
25,679
条,耗时:0.1719202 秒
在所有数据库中总计命中:
49,819
条
1.
Molecular
docking and
molecular
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
;
Molecular
dynamics
simulation
s
;
Molecular
docking
;
Urea
刊名:Journal of
Molecular
Graphics and Modelling
出版年:2017
2.
Molecular
dynamics
simulation
of the human estrogen receptor alpha: contribution to the pharmacophore of the agonists
作者:
Dessislava Jereva
a
;
dessislava.jereva@biomed.bas.bg
;
Filip Fratev
a
;
b
;
fratev@biomed.bas.bg
;
Ivanka Tsakovska
a
;
itsakovska@biomed.bas.bg
;
Petko Alov
a
;
petko.alov@biophys.bas.bg
;
Tania Pencheva
a
;
tania.pencheva@biomed.bas.bg
;
Ilza Pajeva
a
;
pajeva@biomed.bas.bg
关键词:
Human estrogen receptor alpha
;
Agonist
;
Pharmacophore
;
Molecular
dynamics
simulation
刊名:Mathematics and Computers in
Simulation
出版年:2017
3.
Two-dimensional
molecular
simulation
s using rose potentials
作者:
Casey H. Williamson
a
;
Joshua R. Hall
b
;
Christopher J. Fennell
a
;
关键词:
Molecular
dynamics
;
Mercedes-Benz water
;
Orientational potential
;
Liquid
simulation
刊名:Journal of
Molecular
Liquids
出版年:2017
4.
Molecular
dynamics
simulation
of carbon disulphide with a Gaussian correction
作者:
Zygmunt Trumpakaj
;
Bogumił B.J. Linde
;
fizbl@ug.edu.pl
关键词:
Molecular
dynamics
simulation
s
;
Carbon disulphide
;
Electrostatic interactions
;
Gaussian correction
刊名:Journal of
Molecular
Structure
出版年:2017
5.
Exploring the selectivity of auto-inducer complex with LuxR using
molecular
docking, mutational studies and
molecular
dynamics
simulation
s
作者:
Sundaraj Rajamanikandan
a
;
Pappu Srinivasan
b
;
sri.bioinformatics@gmail.com
关键词:
Vibrio harveyi
;
LuxR
;
Molecular
docking
;
Molecular
dynamics
simulation
s
;
Binding free energy
;
Structure based virtual screening
刊名:Journal of
Molecular
Structure
出版年:2017
6.
Study of the interfacial array behaviour of surfactant at very low concentration by second harmonic generation and
molecular
dynamic
simulation
作者:
Han Pan
a
;
Yange Sun
b
;
Lihua Cao
a
;
Dechun Li
a
;
dechun@sdu.edu.cn
;
Kai Sun
a
;
Xinwang Song
c
;
Xulong Cao
c
;
Ying Li
b
;
yingli@sdu.edu.cn
关键词:
Surfactant
;
Interfacial behaviour
;
Second harmonic generation
;
Molecular
dynamic
simulation
刊名:Optik - International Journal for Light and Electron Optics
出版年:2017
7.
Mechanism of modulus improvement for epoxy resin matrices: A
molecular
dynamics
simulation
作者:
Wenqing Zhang
a
;
1
;
Yang Qing
a
;
c
;
1
;
Weihong Zhong
b
;
Gang Sui
a
;
suigang@mail.buct.edu.cn
;
Xiaoping Yang
a
关键词:
Molecular
dynamics
simulation
;
Epoxy resin
;
Structure&ndash
;
property relationship
;
Carbon nanotube
;
Curing agent
刊名:Reactive and Functional Polymers
出版年:2017
8.
Molecular
simulation
s of polyamide membrane materials used in desalination and water reuse applications: Recent developments and future prospects
作者:
Harry F. Ridgway
a
;
b
;
ridgway@vtc.net
;
John Orbell
a
;
Stephen Gray
a
关键词:
Å
;
Angstrom
;
AFM
;
atomic force microscopy
;
AMBER
;
Assisted Model Building and Energy Refinement R. Salomon-Ferrer
;
D.A. Case
;
R.C. Walker
;
An overview of the Amber bio
molecular
simulation
package
;
WIREs Comput. Mol. Sci. 3 (2012) 198&ndash
;
210
;
BSA
;
Bovine serum albumin
;
CA
;
cellulose acetate
;
CHARMM
;
Chemistry at Harvard
Molecular
Mechanics
;
MD code originally developed by Martin Karplus
;
Harvard University
;
CN
;
cellulose nitrate
;
CNT
;
carbon nanotube
;
CVFF
;
Consistent Valence Force Field
刊名:Journal of Membrane Science
出版年:2017
9.
Dynamics of the EAG1 K
+
channel selectivity filter assessed by
molecular
dynamics
simulation
s
作者:
Harald Bernsteiner
1
;
Michael Brü
;
ndl
1
;
Anna Stary-Weinzinger
;
anna.stary@univie.ac.at
关键词:
Molecular
dynamics
simulation
;
KCNH1 channel
;
Ion binding sites
;
Y464A mutant
;
Na+ binding sites
;
C-type inactivation
刊名:Biochemical and Biophysical Research Communications
出版年:2017
10.
Vibrational spectroscopic investigations,
molecular
dynamic
simulation
s and
molecular
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
;
Molecular
dynamics
;
FT-IR
;
FT-Raman
;
Docking
刊名:Journal of
Molecular
Structure
出版年:2017
1
2
3
4
5
6
7
8
9
按检索点细分(25679)
题名(5537)
关键词(4635)
文摘(19490)
NGLC 2004-2010.National Geological Library of China All Rights Reserved.
Add:29 Xueyuan Rd,Haidian District,Beijing,PRC. Mail Add: 8324 mailbox 100083
For exchange or info please contact us via
email
.