Structure Analysis of CaO–SiO2–Al2O3–TiO2 Slag by Molecular Dynamics Simulation and FT-IR Spectroscopy

ISIJ International ◽

10.2355/isijinternational.54.734 ◽

2014 ◽

Vol 54 (4) ◽

pp. 734-742 ◽

Author(s):

Shengfu Zhang ◽

Xi Zhang ◽

Haijun Peng ◽

Liangying Wen ◽

Guibao Qiu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ir Spectroscopy ◽

Structure Analysis ◽

Dynamics Simulation ◽

Ft Ir ◽

Ft Ir Spectroscopy

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3P124 Analysis of Hydrogen Bonds in the Glassy States of Trehalose and Neotrehalose Using Molecular Dynamics Simulation and FT-IR Spectroscopy(Water, hydration, and elctrolytes,Poster Presentations)

Seibutsu Butsuri ◽

10.2142/biophys.47.s234_1 ◽

2007 ◽

Vol 47 (supplement) ◽

pp. S234

Author(s):

Naoko Kawasaki ◽

Bo Zhu ◽

Takao Furuki ◽

Minoru Sakurai

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ir Spectroscopy ◽

Hydrogen Bonds ◽

Dynamics Simulation ◽

Ft Ir ◽

Poster Presentations ◽

Ft Ir Spectroscopy

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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 ◽

Author(s):

Zhen Zhang ◽

Bing Xie ◽

Wang Zhou ◽

Jiang Diao ◽

Hong-Yi Li

Keyword(s):

Molecular Dynamics ◽

Ir Spectroscopy ◽

Molecular Dynamics Simulations ◽

Structural Characterization ◽

Ft Ir ◽

Dynamics Simulations ◽

Ft Ir Spectroscopy

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Insight into TPMT∗23 mutation mis-folding using molecular dynamics simulation and protein structure analysis

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2012.721495 ◽

2013 ◽

Vol 31 (10) ◽

pp. 1066-1076 ◽

Author(s):

Sofiene Larif ◽

Chaker Ben Salem ◽

Zohra Soua ◽

Houssem Hmouda ◽

Kamel Bouraoui

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Molecular Dynamics Simulation ◽

Structure Analysis ◽

Dynamics Simulation ◽

Protein Structure Analysis ◽

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Influence of Go-Like Interactions on Global Shapes of Energy Landscapes in β-Barrel Forming Model Proteins: Inherent Structure Analysis and Statistical Temperature Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp072872u ◽

2008 ◽

Vol 112 (3) ◽

pp. 954-966 ◽

Author(s):

Jaegil Kim ◽

Thomas Keyes

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structure Analysis ◽

Dynamics Simulation ◽

Energy Landscapes ◽

Inherent Structure

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Three dimensional structure analysis of alpha-conotoxin EI(nicotinic acetylcholine receptor antagonist)by molecular dynamics simulation

Seibutsu Butsuri ◽

10.2142/biophys.41.s102_2 ◽

2001 ◽

Vol 41 (supplement) ◽

pp. S102

Author(s):

M. Matsuo ◽

H. Gouda ◽

N. Yamaotsu ◽

S. Hirono

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Receptor Antagonist ◽

Acetylcholine Receptor ◽

Nicotinic Acetylcholine Receptor ◽

Structure Analysis ◽

Three Dimensional ◽

Dynamics Simulation ◽

Dimensional Structure ◽

Nicotinic Acetylcholine

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Experimental, computational and chemometrics studies of BSA-vitamin B6 interaction by UV–Vis, FT-IR, fluorescence spectroscopy, molecular dynamics simulation and hard-soft modeling methods

Bioorganic Chemistry ◽

10.1016/j.bioorg.2016.07.014 ◽

2016 ◽

Vol 68 ◽

pp. 124-136 ◽

Author(s):

Firouzeh Manouchehri ◽

Yahya Izadmanesh ◽

Elham Aghaee ◽

Jahan B. Ghasemi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Fluorescence Spectroscopy ◽

Dynamics Simulation ◽

Modeling Methods ◽

Ft Ir ◽

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Secondary Structure Analysis of Proteins Embedded in Spherical Polyelectrolyte Brushes by FT-IR Spectroscopy

Analytical Chemistry ◽

10.1021/ac0354692 ◽

2004 ◽

Vol 76 (10) ◽

pp. 2813-2819 ◽

Author(s):

Alexander Wittemann ◽

Matthias Ballauff

Keyword(s):

Secondary Structure ◽

Ir Spectroscopy ◽

Structure Analysis ◽

Polyelectrolyte Brushes ◽

Secondary Structure Analysis ◽

Ft Ir ◽

Spherical Polyelectrolyte Brushes ◽

Ft Ir Spectroscopy

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Non-toxic bisacodyl as an effective corrosion inhibitor for mild steel in 1 M HCl: Thermodynamic, electrochemical, SEM, EDX, AFM, FT-IR, DFT and molecular dynamics simulation studies

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.110906 ◽

2019 ◽

Vol 287 ◽

pp. 110906 ◽

Author(s):

G. Vengatesh ◽

M. Sundaravadivelu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Corrosion Inhibitor ◽

Dynamics Simulation ◽

Simulation Studies ◽

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Understanding the interfacial interactions of bioinspired chitosan-calcite nanocomposites by first principles molecular dynamics simulations and experimental FT-IR spectroscopy

Carbohydrate Polymers ◽

10.1016/j.carbpol.2019.115054 ◽

2019 ◽

Vol 223 ◽

pp. 115054 ◽

Author(s):

Wenkun Zhu ◽

Tao Chen ◽

Rong He ◽

Yingchun Ding ◽

Tao Duan ◽

...

Keyword(s):

Molecular Dynamics ◽

Ir Spectroscopy ◽

Molecular Dynamics Simulations ◽

First Principles ◽

Interfacial Interactions ◽

Ft Ir ◽

Dynamics Simulations ◽

Ft Ir Spectroscopy ◽

First Principles Molecular Dynamics

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20ns Molecular Dynamics Simulation of the Antennapedia Homeodomain-DNA Complex: Water Interaction and DNA Structure Analysis

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2010.10507329 ◽

2010 ◽

Vol 27 (4) ◽

pp. 443-455 ◽

Author(s):

Sujata Roy ◽

Ashoke Ranjan Thakur

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structure Analysis ◽

Dna Structure ◽

Dynamics Simulation ◽

Water Interaction ◽

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