The Relation Between Lipase Thermostability and Dynamics of Hydrogen Bond and Hydrogen Bond Network Based on Long Time Molecular Dynamics Simulation

Protein and Peptide Letters ◽

10.2174/0929866524666170502151429 ◽

2017 ◽

Vol 24 (7) ◽

Author(s):

Leiyu Zhang ◽

Yanrui Ding

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Hydrogen Bond Network ◽

Long Time ◽

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Formation Mechanism of the Spiral-Like Structure of a Hydrogen Bond Network Confined in a Fluorinated Nanochannel: A Molecular Dynamics Simulation

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b01074 ◽

2017 ◽

Vol 121 (25) ◽

pp. 13840-13847 ◽

Author(s):

Ning Zhang ◽

Yuechun Song ◽

Jun Huo ◽

Yan Li ◽

Zhao Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Formation Mechanism ◽

Dynamics Simulation ◽

Hydrogen Bond Network ◽

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A combined molecular dynamics simulation, atoms in molecule analysis and IR study on the biologically important bulk fluorinated ethanols to understand the role of weak interactions in their cluster formation and hydrogen bond network

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.05.098 ◽

2017 ◽

Vol 240 ◽

pp. 708-716 ◽

Author(s):

Saptarsi Mondal ◽

Biswajit Biswas ◽

Sunipa Sarkar ◽

Prashant Chandra Singh

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Weak Interactions ◽

Cluster Formation ◽

Dynamics Simulation ◽

Hydrogen Bond Network ◽

Bond Network ◽

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Molecular dynamics simulation on the effect of water uptake on hydrogen bond network for OH− conduction in imidazolium-g-PPO membrane

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2018.12.090 ◽

2019 ◽

Vol 44 (7) ◽

pp. 3760-3770 ◽

Author(s):

Jun Huo ◽

Wenxu Qi ◽

Hongda Zhu ◽

Boyun Yang ◽

Gaohong He ◽

...

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Water Uptake ◽

Dynamics Simulation ◽

Hydrogen Bond Network ◽

Effect Of Water ◽

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Molecular dynamics simulation of microscopic structure and hydrogen bond network of the pristine and phosphoric acid doped polybenzimidazole

Polymer ◽

10.1016/j.polymer.2010.12.037 ◽

2011 ◽

Vol 52 (3) ◽

pp. 881-892 ◽

Author(s):

Suhua Zhu ◽

Liuming Yan ◽

Dongfang Zhang ◽

Qingxia Feng

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Phosphoric Acid ◽

Dynamics Simulation ◽

Microscopic Structure ◽

Hydrogen Bond Network ◽

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Molecular Dynamics Simulation Studies of the Hydrogen Bond Network in Water

Hydrogen-Bonded Liquids ◽

10.1007/978-94-011-3274-9_14 ◽

1991 ◽

pp. 171-183 ◽

Author(s):

Alfons Geiger ◽

Peter Mausbach

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Studies ◽

Hydrogen Bond Network ◽

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ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

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The Thermo Stability of Lipase: Salt Bridge and Salt Bridge Network Perspective Based on Long Time Molecular Dynamics Simulation

2017 International Conference on Computing Intelligence and Information System (CIIS) ◽

10.1109/ciis.2017.34 ◽

2017 ◽

Author(s):

Leiyu Zhang ◽

Yanrui Ding

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Salt Bridge ◽

Dynamics Simulation ◽

Long Time ◽

Thermo Stability

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Raman Spectra of Liquid Water from Ab Initio Molecular Dynamics: Vibrational Signatures of Charge Fluctuations in the Hydrogen Bond Network

Journal of Chemical Theory and Computation ◽

10.1021/ct4005307 ◽

2013 ◽

Vol 9 (9) ◽

pp. 4124-4130 ◽

Author(s):

Quan Wan ◽

Leonardo Spanu ◽

Giulia A. Galli ◽

François Gygi

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Ab Initio ◽

Raman Spectra ◽

Liquid Water ◽

Ab Initio Molecular Dynamics ◽

Hydrogen Bond Network ◽

Charge Fluctuations ◽

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Role of the conservative interhelical hydrogen bond Ser74–Trp158 at the cholesterol binding site in the conformational stability of the β2-adrenergic receptor: Molecular dynamics simulation

Journal of Structural Chemistry ◽

10.1134/s002247661702024x ◽

2017 ◽

Vol 58 (2) ◽

pp. 384-391 ◽

Author(s):

T. V. Bogdan ◽

E. S. Alekseev

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Β2 Adrenergic Receptor ◽

Cholesterol Binding

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Reversible Hydrogen Bond Network Dynamics: Molecular Dynamics Simulations of Calix[4]arene-Catenanes

The Journal of Physical Chemistry B ◽

10.1021/jp2025522 ◽

2011 ◽

Vol 115 (20) ◽

pp. 6445-6454 ◽

Author(s):

Thomas Schlesier ◽

Thorsten Metzroth ◽

Andreas Janshoff ◽

Jürgen Gauss ◽

Gregor Diezemann

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulations ◽

Network Dynamics ◽

Hydrogen Bond Network ◽

Bond Network ◽

Dynamics Simulations

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