Yaoquan Tu : rechercher sur Z-Library

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1

ATAD2 in cancer: a pharmacologically challenging but tractable target

Hussain, Muzammal, Zhou, Yang, Song, Yu, Hameed, H.M. Adnan, Jiang, Hao, Tu, Yaoquan, Zhang, Jiancun

Journal:

Expert Opinion on Therapeutic Targets

Année:

2017

Langue:

english

Fichier:

PDF, 1.58 MB

english, 2017

2

Mechanical action of infrared light on atoms and molecules through a rectification of the electric force

Tu, Yaoquan, Felicíssimo, Viviane Costa, Guimarães, Freddy Fernandes, Ågren, Hans, Gel'mukhanov, Faris

Journal:

Physica Scripta

Année:

2009

Langue:

english

Fichier:

PDF, 2.72 MB

english, 2009

3

Cholesterol-directed nanoparticle assemblies based on single amino acid peptide mutations activate cellular uptake and decrease tumor volume

Li, Shang, Zou, Rongfeng, Tu, Yaoquan, Wu, Junchen, Landry, Markita P.

Journal:

Chemical Science

Année:

2017

Langue:

english

Fichier:

PDF, 963 KB

english, 2017

4

Hydroxylation and Ring-Opening Mechanism of an Unusual Flavoprotein Monooxygenase, 2-Methyl-3-hydroxypyridine-5-carboxylic Acid Oxygenase: A Theoretical Study

Boxue Tian, Yaoquan Tu, Åke Strid, Leif A. Eriksson

Journal:

Chemistry - A European Journal

Année:

2010

Langue:

english

Fichier:

PDF, 645 KB

english, 2010

5

A supramolecular photoswitch constructed by intermolecular hydrogen bond between BTEPy and TTF–COOH

Yanli Feng, Qiong Zhang, Wenjuan Tan, Deqing Zhang, Yaoquan Tu, Hans Ågren, He Tian

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 308 KB

english, 2008

6

Core electron chemical shifts of hydrogen-bonded structures

Guangde Tu, Yaoquan Tu, Olav Vahtras, Hans Ågren

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 303 KB

english, 2009

7

The electronic properties of water molecules in water clusters and liquid water

Yaoquan Tu, Aatto Laaksonen

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 98 KB

english, 2000

8

Quantum chemistry study of monomer electronic properties in water clusters and liquid water and methanol

Yaoquan Tu, Aatto Laaksonen

Journal:

International Journal of Quantum Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 123 KB

english, 2005

9

A molecular dynamics study of the thermal response of crystalline cellulose Iβ

Qiong Zhang, Vincent Bulone, Hans Ågren, Yaoquan Tu

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 696 KB

english, 2011

10

Working Mechanism for a Redox Switchable Molecular Machine Based on Cyclodextrin: A Free Energy Profile Approach

Tu, Yaoquan, Tian, He, Zhao, Yan-Li, Stoddart, J. Fraser, Ågren, Hans, Zhang, Qiong

Journal:

Journal of Physical Chemistry B

Année:

2010

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2010

11

The adsorption of xyloglucan on cellulose: effects of explicit water and side chain variation

Qiong Zhang, Harry Brumer, Hans Ågren, Yaoquan Tu

Journal:

Carbohydrate Research

Année:

2011

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2011

12

Effects of laser irradiation on the structure and optical properties of ZnO thin films

Hui Lu, Yaoquan Tu, Xian Lin, Bin Fang, Duanbin Luo, Aatto Laaksonen

Journal:

Materials Letters

Année:

2010

Langue:

english

Fichier:

PDF, 535 KB

english, 2010

13

Modelling nonlinear optical effects in guest-host systems

Hans Agren, Yaoquan Tu, Yi Luo

Journal:

Chinese Optics Letters

Année:

2005

Fichier:

PDF, 556 KB

2005

14

A Mechanistic Hypothesis for the Cytochrome P450-Catalyzed Cis–Trans Isomerization of 4-Hydroxytamoxifen: An Unusual Redox Reaction

Gao, Li, Tu, Yaoquan, Wegman, Pia, Wingren, Sten, Eriksson, Leif A.

Journal:

Journal of Chemical Information and Modeling

Année:

2011

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2011

15

Molecular Dynamics Simulations of the Surface Tension and Structure of Salt Solutions and Clusters

Sun, Lu, Li, Xin, Hede, Thomas, Tu, Yaoquan, Leck, Caroline, Ågren, Hans

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 1.81 MB

english, 2012

16

[Advances in Quantum Chemistry] Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods Volume 59 || Implementing Quantum Mechanics into Molecular Mechanics—Combined QM/MM Modeling Methods

Année:

2010

Langue:

english

Fichier:

PDF, 184 KB

english, 2010

17

Paramagnetic Perturbation of the 19 F NMR Chemical Shift in Fluorinated Cysteine by O 2 : A Theoretical Study

Li, Xin, Rinkevicius, Zilvinas, Tu, Yaoquan, Tian, He, Ågren, Hans

Journal:

Journal of Physical Chemistry B

Année:

2009

Langue:

english

Fichier:

PDF, 244 KB

english, 2009

18

Conformational Enantiomerization and Estrogen Receptor α Binding of Anti-Cancer Drug Tamoxifen and Its Derivatives

Gao, Li, Tu, Yaoquan, Wegman, Pia, Wingren, Sten, Eriksson, Leif A.

Journal:

Journal of Chemical Information and Modeling

Année:

2011

Langue:

english

Fichier:

PDF, 3.13 MB

english, 2011

19

Theoretical study on key factors in DNA sequencing with graphene nanopores

Liang, Lijun, Cui, Peng, Wang, Qi, Wu, Tao, Ågren, Hans, Tu, Yaoquan

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 949 KB

english, 2013

20

Can Octupolar Molecules Be Poled by an External Electric Field?

Tu, Yaoquan, Luo, Yi, Ågren, Hans

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 181 KB

english, 2005

21

Molecular Dynamics Simulations Applied to Electric Field Induced Second Harmonic Generation in Dipolar Chromophore Solutions

Tu, Yaoquan, Luo, Yi, Ågren, Hans

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 139 KB

english, 2006

22

Molecular Dynamics and Quantum Chemistry Study on Conformations and Optical Properties of Hydrogen Bonded Dipolar Merocyanine Dyes

Zhao, Ke, Tu, Yaoquan, Luo, Yi

Journal:

Journal of Physical Chemistry B

Année:

2009

Langue:

english

Fichier:

PDF, 4.02 MB

english, 2009

23

Effects of Graphene Nanopore Geometry on DNA Sequencing

Zhang, Zhisen, Shen, Jiawei, Wang, Hongbo, Wang, Qi, Zhang, Junqiao, Liang, Lijun, Ågren, Hans, Tu, Yaoquan

Journal:

The Journal of Physical Chemistry Letters

Année:

2014

Langue:

english

Fichier:

PDF, 7.28 MB

english, 2014

24

Na + and K + ion selectivity by size-controlled biomimetic graphene nanopores

Kang, Yu, Zhang, Zhisen, Shi, Hui, Zhang, Junqiao, Liang, Lijun, Wang, Qi, Ågren, Hans, Tu, Yaoquan

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2014

25

Molecular dynamics simulation of strong interaction mechanisms at wet interfaces in clay–polysaccharide nanocomposites

Wang, Yan, Wohlert, Jakob, Berglund, Lars A., Tu, Yaoquan, Ågren, Hans

Journal:

Journal of Materials Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 699 KB

english, 2014

26

Electric Field Poled Polymeric Nonlinear Optical Systems: Molecular Dynamics Simulations of Poly(methyl methacrylate) Doped with Disperse Red Chromophores

Tu, Yaoquan, Zhang, Qiong, Ågren, Hans

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 185 KB

english, 2007

27

On the Mechanism of Protein Adsorption onto Hydroxylated and Nonhydroxylated TiO 2 Surfaces

Kang, Yu, Li, Xin, Tu, Yaoquan, Wang, Qi, Ågren, Hans

Journal:

The Journal of Physical Chemistry C

Année:

2010

Langue:

english

Fichier:

PDF, 3.43 MB

english, 2010

28

Characterization of Agonist Binding to His524 in the Estrogen Receptor α Ligand Binding Domain

Gao, Li, Tu, Yaoquan, Ågren, Hans, Eriksson, Leif A.

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 3.02 MB

english, 2012

29

Cross-Linked Polysaccharide Assemblies in Marine Gels: An Atomistic Simulation

Li, Xin, Leck, Caroline, Sun, Lu, Hede, Thomas, Tu, Yaoquan, Ågren, Hans

Journal:

The Journal of Physical Chemistry Letters

Année:

2013

Langue:

english

Fichier:

PDF, 1.65 MB

english, 2013

30

Nuclear Magnetic Shielding of the 113 Cd(II) Ion in Aqua Solution: A Combined Molecular Dynamics/Density Functional Theory Study

Li, Xin, Rinkevicius, Zilvinas, Tu, Yaoquan, Tian, He, Ågren, Hans

Journal:

Journal of Physical Chemistry B

Année:

2008

Langue:

english

Fichier:

PDF, 117 KB

english, 2008

31

Molecular Dynamics Simulations of Polycarbonate Doped with Lemke Chromophores

Zhang, Qiong, Tu, Yaoquan, Tian, He, Ågren, Hans

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 147 KB

english, 2007

32

Combined Effect of Glycine and Sea Salt on Aerosol Cloud Droplet Activation Predicted by Molecular Dynamics Simulations

Sun, Lu, Hede, Thomas, Tu, Yaoquan, Leck, Caroline, Ågren, Hans

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2013

33

Functional Water Molecules in Rhodopsin Activation

Sun, Xianqiang, Ågren, Hans, Tu, Yaoquan

Journal:

Journal of Physical Chemistry B

Année:

2014

Langue:

english

Fichier:

PDF, 676 KB

english, 2014

34

Molecular dynamics simulations reveal the assembly mechanism of polysaccharides in marine aerosols

Sun, Lu, Li, Xin, Hede, Thomas, Tu, Yaoquan, Leck, Caroline, Ågren, Hans

Journal:

Physical Chemistry Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2014

35

Surface-Active cis -Pinonic Acid in Atmospheric Droplets: A Molecular Dynamics Study

Li, Xin, Hede, Thomas, Tu, Yaoquan, Leck, Caroline, Ågren, Hans

Journal:

The Journal of Physical Chemistry Letters

Année:

2010

Langue:

english

Fichier:

PDF, 2.18 MB

english, 2010

36

Two-Photon Absorption of Hydrogen-Bonded Octupolar Molecule Clusters

Liu, Kai, Wang, Yanhua, Tu, Yaoquan, Ågren, Hans, Luo, Yi

Journal:

Journal of Physical Chemistry B

Année:

2008

Langue:

english

Fichier:

PDF, 472 KB

english, 2008

37

Modulation of iridium(iii) phosphorescence via photochromic ligands: a density functional theory study

Li, Xin, Zhang, Qiong, Tu, Yaoquan, Ågren, Hans, Tian, He

Journal:

Physical Chemistry Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 1.24 MB

english, 2010

38

Theoretical studies on the dynamics of DNA fragment translocation through multilayer graphene nanopores

Liang, Lijun, Zhang, Zhisen, Shen, Jiawei, Zhe, Kong, Wang, Qi, Wu, Tao, Ågren, Hans, Tu, Yaoquan

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 1.67 MB

english, 2014

39

Atomic charges in molecular mechanical force fields: A theoretical insight

Tu, Yaoquan, Laaksonen, Aatto

Journal:

Physical Review E

Année:

2001

Langue:

english

Fichier:

PDF, 73 KB

english, 2001

40

Microsecond Molecular Dynamics Simulations Provide Insight into the Allosteric Mechanism of the Gs Protein Uncoupling from the β 2 Adrenergic Receptor

Sun, Xianqiang, Ågren, Hans, Tu, Yaoquan

Journal:

Journal of Physical Chemistry B

Année:

2014

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2014

41

A theoretical study revealing the promotion of light-absorbing carbon particles solubilization by natural surfactants in nanosized water droplets

Hede, Thomas, Leck, Caroline, Sun, Lu, Tu, Yaoquan, Ågren, Hans

Journal:

Atmospheric Science Letters

Année:

2013

Langue:

english

Fichier:

PDF, 252 KB

english, 2013

42

Efficient ab initio tight-binding-like method for electronic structure calculations

Tu, Yaoquan, Jacobsson, Sven P., Laaksonen, Aatto

Journal:

Physical Review B

Année:

2006

Langue:

english

Fichier:

PDF, 106 KB

english, 2006

43

On the effect of Lennard-Jones parameters on the quantum mechanical and molecular mechanical coupling in a hybrid molecular dynamics simulation of liquid water

Tu, Yaoquan, Laaksonen, Aatto

Journal:

The Journal of Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 304 KB

english, 1999

44

Combined Hartree–Fock quantum mechanical and molecular mechanical molecular dynamics simulations of water at ambient and supercritical conditions

Tu, Yaoquan, Laaksonen, Aatto

Journal:

The Journal of Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 305 KB

english, 2000

45

Computer simulations of aqua metal ions for accurate reproduction of hydration free energies and structures

Li, Xin, Tu, Yaoquan, Tian, He, Ågren, Hans

Journal:

The Journal of Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 448 KB

english, 2010

46

Re-examination of the NDDO approximation and introduction of a new model beyond it

TU, YAOQUAN, JACOBSSON, SVEN P., LAAKSONEN, AATTO

Journal:

Molecular Physics

Année:

2003

Langue:

english

Fichier:

PDF, 602 KB

english, 2003

47

Molecular Adhesion at Clay Nanocomposite Interfaces Depends on Counterion Hydration–Molecular Dynamics Simulation of Montmorillonite/Xyloglucan

Wang, Yan, Wohlert, Jakob, Bergenstråhle-Wohlert, Malin, Kochumalayil, Joby J., Berglund, Lars A., Tu, Yaoquan, Ågren, Hans

Journal:

Biomacromolecules

Année:

2015

Langue:

english

Fichier:

PDF, 4.50 MB

english, 2015

48

Molecular dynamics simulations indicate that DNA bases using graphene nanopores can be identified by their translocation times

Shi, Changchun, Kong, Zhe, Sun, Tianyang, Liang, Lijun, Shen, Jiawei, Zhao, Zhengyan, Wang, Qi, Kang, Zhengzhong, Ågren, Hans, Tu, Yaoquan

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 620 KB

english, 2015

49

Computational studies of DNA sequencing with solid-state nanopores: key issues and future prospects

Liang, Lijun, Wang, Qi, Ågren, Hans, Tu, Yaoquan

Journal:

Frontiers in Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 427 KB

english, 2014

50

Residues remote from the binding pocket control the antagonist selectivity towards the corticotropin-releasing factor receptor-1

Sun, Xianqiang, Cheng, Jianxin, Wang, Xu, Tang, Yun, Ågren, Hans, Tu, Yaoquan

Journal:

Scientific Reports

Année:

2015

Langue:

english

Fichier:

PDF, 1.32 MB

english, 2015