Characterization of Titanium Dioxide Nanoparticles Using Molecular Dynamics Simulations

Titanium Dioxide Nanoparticles ◽

Structural Characterization of FeO–SiO2–V2O3 Slags Using Molecular Dynamics Simulations and FT-IR Spectroscopy

ISIJ International ◽

10.2355/isijinternational.isijint-2015-600 ◽

2016 ◽

Vol 56 (5) ◽

pp. 828-834 ◽

Cited By ~ 10

Author(s):

Zhen Zhang ◽

Bing Xie ◽

Wang Zhou ◽

Jiang Diao ◽

Hong-Yi Li

Keyword(s):

Molecular Dynamics ◽

Ir Spectroscopy ◽

Structural Characterization ◽

Ft Ir ◽

Dynamics Simulations ◽

Ft Ir Spectroscopy

Characterization of amorphous Si generated through classical molecular dynamics simulations

2017 Spanish Conference on Electron Devices (CDE) ◽

10.1109/cde.2017.7905213 ◽

2017 ◽

Author(s):

Ivan Santos ◽

Pedro Lopez ◽

Maria Aboy ◽

Luis A. Marques ◽

Lourdes Pelaz

Keyword(s):

Molecular Dynamics ◽

Classical Molecular Dynamics ◽

Amorphous Si ◽

Atomic scale characterization of interfacial water near an oxide surface using molecular dynamics simulations

Physical Chemistry Chemical Physics ◽

10.1039/c2cp42308a ◽

2012 ◽

Vol 14 (44) ◽

pp. 15593 ◽

Cited By ~ 21

Author(s):

Sanket A. Deshmukh ◽

Subramanian K. R. S. Sankaranarayanan

Keyword(s):

Molecular Dynamics ◽

Atomic Scale ◽

Oxide Surface ◽

Interfacial Water ◽

Scale Characterization ◽

Atomistic investigation into the mechanical behaviour of crystalline and amorphous TiO2 nanotubes

RSC Advances ◽

10.1039/c5ra27268h ◽

2016 ◽

Vol 6 (33) ◽

pp. 28121-28129 ◽

Cited By ~ 6

Author(s):

Yanan Xu ◽

Mingchao Wang ◽

Ning Hu ◽

John Bell ◽

Cheng Yan

Keyword(s):

Mechanical Properties ◽

Molecular Dynamics ◽

Titanium Dioxide ◽

Mechanical Behaviour ◽

Tio2 Nanotubes ◽

Amorphous Tio2 ◽

The mechanical properties of titanium dioxide (TiO2) nanotubes are studied based on molecular dynamics simulations.

Characterization of a Catalytic Ligand Bridging Metal Ions in Phosphodiesterases 4 and 5 by Molecular Dynamics Simulations and Hybrid Quantum Mechanical/Molecular Mechanical Calculations

Biophysical Journal ◽

10.1529/biophysj.106.086835 ◽

2006 ◽

Vol 91 (5) ◽

pp. 1858-1867 ◽

Cited By ~ 32

Author(s):

Ying Xiong ◽

Hai-Ting Lu ◽

Yongjian Li ◽

Guang-Fu Yang ◽

Chang-Guo Zhan

Keyword(s):

Molecular Dynamics ◽

Metal Ions ◽

Quantum Mechanical ◽

Structural characterization of the H2O/CCl4 liquid interface using molecular dynamics simulations

Surface and Colloid Science ◽

10.1007/b97086 ◽

2004 ◽

pp. 81-85 ◽

Cited By ~ 1

Author(s):

N. H. Moreira ◽

M. S. Skaf

Keyword(s):

Molecular Dynamics ◽

Structural Characterization ◽

Liquid Interface ◽

Thermodynamic and kinetic characterization of a β-hairpin peptide in solution: An extended phase space sampling by molecular dynamics simulations in explicit water

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.20427 ◽

2005 ◽

Vol 59 (3) ◽

pp. 510-518 ◽

Cited By ~ 37

Author(s):

Isabella Daidone ◽

Andrea Amadei ◽

Alfredo Di Nola

Keyword(s):

Molecular Dynamics ◽

Phase Space ◽

Extended Phase Space ◽

Kinetic Characterization ◽

Extended Phase ◽

Dynamics Simulations ◽

Explicit Water

Characterization of a Novel Glutelin Subunit OsGluBX by the Experimental Approach and Molecular Dynamics Simulations

Applied Biochemistry and Biotechnology ◽

10.1007/s12010-012-0058-1 ◽

2013 ◽

Vol 169 (5) ◽

pp. 1482-1496 ◽

Cited By ~ 3

Author(s):

Ying He ◽

Yubo Zhang ◽

Shuzhen Wang ◽

Hanlai Zeng ◽

Yi Ding

Keyword(s):

Molecular Dynamics ◽

Experimental Approach ◽

Characterization of RNA Nano Design Structures by Steered Molecular Dynamics Simulations Approach

Biophysical Journal ◽

10.1016/j.bpj.2009.12.4162 ◽

2010 ◽

Vol 98 (3) ◽

pp. 758a

Author(s):

Taejin Kim ◽

Victor E. Marquez ◽

Bruce A. Shapiro

Keyword(s):

Molecular Dynamics ◽

Steered Molecular Dynamics ◽

Characterization of the structural ensembles of p53 TAD2 by molecular dynamics simulations with different force fields

Physical Chemistry Chemical Physics ◽

10.1039/c8cp00067k ◽

2018 ◽

Vol 20 (13) ◽

pp. 8676-8684 ◽

Cited By ~ 7

Author(s):

Yanhua Ouyang ◽

Likun Zhao ◽

Zhuqing Zhang

Keyword(s):

Molecular Dynamics ◽

Force Fields ◽

Structural Ensembles ◽

The conformations of p53 TAD2 in complexes and sampled in simulations with five force fields.