Influence of Salt on Hydrophobic Effects:  A Molecular Dynamics Study Using the Modified Hydration-Shell Hydrogen-Bond Model

Ricardo L. Mancera

doi:10.1021/jp9900537

Influence of Salt on Hydrophobic Effects: A Molecular Dynamics Study Using the Modified Hydration-Shell Hydrogen-Bond Model

The Journal of Physical Chemistry B ◽

10.1021/jp9900537 ◽

1999 ◽

Vol 103 (18) ◽

pp. 3774-3777 ◽

Cited By ~ 14

Author(s):

Ricardo L. Mancera

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Hydration Shell ◽

Hydrophobic Effects ◽

Bond Model

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Testing the Modified Hydration-Shell Hydrogen-Bond Model of Hydrophobic Effects Using Molecular Dynamics Simulation

The Journal of Physical Chemistry ◽

10.1021/jp960520+ ◽

1996 ◽

Vol 100 (14) ◽

pp. 5616-5619 ◽

Cited By ~ 22

Author(s):

Keith E. Laidig ◽

Valerie Daggett

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Hydration Shell ◽

Dynamics Simulation ◽

Hydrophobic Effects ◽

Bond Model

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Complexation Thermodynamics of Cyclodextrins in the Framework of a Molecular Size-Based Model for Nonassociative Organic Liquids That Includes a Modified Hydration-Shell Hydrogen-Bond Model for Water

The Journal of Physical Chemistry B ◽

10.1021/jp025711t ◽

2002 ◽

Vol 106 (27) ◽

pp. 6864-6870 ◽

Cited By ~ 21

Author(s):

Peter Buchwald

Keyword(s):

Hydrogen Bond ◽

Hydration Shell ◽

Molecular Size ◽

Organic Liquids ◽

Bond Model ◽

Complexation Thermodynamics

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Hydrogen Bond Networks and Hydrophobic Effects in the Amyloid β30–35 Chain in Water: A Molecular Dynamics Study

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.7b00085 ◽

2017 ◽

Vol 57 (7) ◽

pp. 1548-1562 ◽

Cited By ~ 14

Author(s):

KwangHyok Jong ◽

Luca Grisanti ◽

Ali Hassanali

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Hydrophobic Effects ◽

Hydrogen Bond Networks

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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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Faculty Opinions recommendation of Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.13372988.14743099 ◽

2011 ◽

Author(s):

Martin Stahl

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Bond Strength ◽

Molecular Dynamics Simulations ◽

Hydrophobic Interactions ◽

Thrombin Inhibitors ◽

Hydrogen Bond Strength ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Heterogeneous Hydrogen Bond Environment in Hydrophobic Deep Eutectic Solvents

AIChE Journal ◽

10.1002/aic.17382 ◽

2021 ◽

Author(s):

Usman L. Abbas ◽

Qi Qiao ◽

Manh Tien Nguyen ◽

Jian Shi ◽

Qing Shao

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulations ◽

Deep Eutectic Solvents ◽

Dynamics Simulations

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Concentration-Dependent Hydrogen Bond Behavior of Ethylammonium Nitrate Protic Ionic Liquid–Water Mixtures Explored by Molecular Dynamics Simulations

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.7b00205 ◽

2017 ◽

Vol 62 (8) ◽

pp. 2340-2349 ◽

Cited By ~ 15

Author(s):

Yiping Huang ◽

Zheng Wan ◽

Zhen Yang ◽

Yuanhui Ji ◽

Li Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Liquid Water ◽

Protic Ionic Liquid ◽

Bond Behavior ◽

Ethylammonium Nitrate ◽

Dynamics Simulations

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A Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon Tetrachloride Mixtures: Equilibrium Hydrogen-Bond Structure and Dynamics at the Ground State and the Infrared Absorption Spectrum

The Journal of Physical Chemistry B ◽

10.1021/jp204245z ◽

2011 ◽

Vol 115 (29) ◽

pp. 9184-9194 ◽

Cited By ~ 19

Author(s):

Kijeong Kwac ◽

Eitan Geva

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Absorption Spectrum ◽

Carbon Tetrachloride ◽

Infrared Absorption ◽

Ground State ◽

Infrared Absorption Spectrum ◽

Structure And Dynamics ◽

Classical Molecular Dynamics

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Semiquantal molecular dynamics simulations of hydrogen-bond dynamics in liquid water using spherical gaussian wave packets

International Journal of Quantum Chemistry ◽

10.1002/qua.24146 ◽

2012 ◽

Vol 113 (3) ◽

pp. 356-365 ◽

Cited By ~ 6

Author(s):

Junichi Ono ◽

Kim Hyeon-Deuk ◽

Koji Ando

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulations ◽

Liquid Water ◽

Wave Packets ◽

Dynamics Simulations ◽

Hydrogen Bond Dynamics ◽

Gaussian Wave Packets

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Molecular Dynamics Simulations for Loading-Dependent Diffusion of CO2, SO2, CH4, and Their Binary Mixtures in ZIF-10: The Role of Hydrogen Bond

Langmuir ◽

10.1021/acs.langmuir.7b01537 ◽

2017 ◽

Vol 33 (42) ◽

pp. 11543-11553 ◽

Cited By ~ 5

Author(s):

Li Li ◽

Deshuai Yang ◽

Trevor R. Fisher ◽

Qi Qiao ◽

Zhen Yang ◽

...

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulations ◽

Binary Mixtures ◽

Dynamics Simulations

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