Water interaction with glycine betaine: A hybrid QM/MM molecular dynamics simulation

Maurizio Sironi; Arianna Fornili; Sandro L. Fornili

doi:10.1039/b009779i

Water interaction with glycine betaine: A hybrid QM/MM molecular dynamics simulation

Physical Chemistry Chemical Physics ◽

10.1039/b009779i ◽

2001 ◽

Vol 3 (6) ◽

pp. 1081-1085 ◽

Cited By ~ 11

Author(s):

Maurizio Sironi ◽

Arianna Fornili ◽

Sandro L. Fornili

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Glycine Betaine ◽

Dynamics Simulation ◽

Water Interaction

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Water interaction with α,α-trehalose: molecular dynamics simulation

Journal of the Chemical Society Faraday Transactions ◽

10.1039/a804257h ◽

1998 ◽

Vol 94 (18) ◽

pp. 2755-2762 ◽

Cited By ~ 45

Author(s):

Giovanni Bonanno ◽

Rosina Noto ◽

Sandro L. Fornili

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Water Interaction

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Molecular Dynamics Simulation of the Effects of the Carbon–Water Interaction Parameters on the Nanofluidic Energy Absorption System

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b00421 ◽

2016 ◽

Vol 120 (22) ◽

pp. 11864-11870 ◽

Cited By ~ 4

Author(s):

Sayed Hossein Ganjiani ◽

Alireza Hossein Nezhad

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Energy Absorption ◽

Dynamics Simulation ◽

Interaction Parameters ◽

Absorption System ◽

Water Interaction

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Molecular-dynamics simulation of liquid water with anab initioflexible water-water interaction potential

Physical Review A ◽

10.1103/physreva.33.2679 ◽

1986 ◽

Vol 33 (4) ◽

pp. 2679-2693 ◽

Cited By ~ 200

Author(s):

G. C. Lie ◽

E. Clementi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interaction Potential ◽

Liquid Water ◽

Dynamics Simulation ◽

Water Interaction

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Molecular dynamics simulation of water near walls using an improved wall—water interaction potential

Chemical Physics Letters ◽

10.1016/0009-2614(84)85626-2 ◽

1984 ◽

Vol 104 (5) ◽

pp. 478-484 ◽

Cited By ~ 50

Author(s):

Giulio Barabino ◽

Cesare-Gavotti ◽

Michele Marchesi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interaction Potential ◽

Dynamics Simulation ◽

Water Interaction

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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 ◽

Cited By ~ 28

Author(s):

Sujata Roy ◽

Ashoke Ranjan Thakur

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structure Analysis ◽

Dna Structure ◽

Dynamics Simulation ◽

Water Interaction ◽

Dna Complex

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Tryptophan–water interaction in Monellin: Hydration patterns from molecular dynamics simulation

Chemical Physics Letters ◽

10.1016/j.cplett.2006.01.012 ◽

2006 ◽

Vol 420 (4-6) ◽

pp. 512-517 ◽

Cited By ~ 2

Author(s):

Priti Hansia ◽

Saraswathi Vishveshwara ◽

Samir Kumar Pal

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Water Interaction

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Molecular-dynamics simulation of liquid water with anab initioflexible water-water interaction potential. II. The effect of internal vibrations on the time correlation functions

Physical Review A ◽

10.1103/physreva.36.3935 ◽

1987 ◽

Vol 36 (8) ◽

pp. 3935-3942 ◽

Cited By ~ 30

Author(s):

M. W. Evans ◽

K. Refson ◽

K. N. Swamy ◽

G. C. Lie ◽

E. Clementi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interaction Potential ◽

Liquid Water ◽

Correlation Functions ◽

Time Correlation ◽

Dynamics Simulation ◽

Time Correlation Functions ◽

Water Interaction ◽

Internal Vibrations

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Molecular dynamics simulation of aqueous solutions of glycine betaine

Chemical Physics Letters ◽

10.1016/s0009-2614(02)01707-4 ◽

2003 ◽

Vol 367 (1-2) ◽

pp. 238-244 ◽

Cited By ~ 17

Author(s):

Monica Civera ◽

Arianna Fornili ◽

Maurizio Sironi ◽

Sandro L. Fornili

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Glycine Betaine ◽

Dynamics Simulation

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Structural Analysis of Ice-core/Water Interaction Based on Molecular Dynamics Simulation

The Proceedings of Conference of Kansai Branch ◽

10.1299/jsmekansai.2002.77._9-17_ ◽

2002 ◽

Vol 2002.77 (0) ◽

pp. _9-17_-_9-18_

Author(s):

Tadashi YOKOYAMA ◽

Yoshimichi HAGIWARA ◽

Shohei FUJII

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Analysis ◽

Ice Core ◽

Dynamics Simulation ◽

Water Interaction

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Ab initio molecular dynamics simulation of Na-doped aluminosilicate glasses and glass-water interaction

AIP Advances ◽

10.1063/1.5092617 ◽

2019 ◽

Vol 9 (7) ◽

pp. 075218 ◽

Cited By ~ 1

Author(s):

Khagendra Baral ◽

Aize Li ◽

Wai-Yim Ching

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Water Interaction ◽

Aluminosilicate Glasses

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