Distribution and Transport of CO2 in Hydrated Hyperbranched Poly(ethylenimine) Membranes: A Molecular Dynamics Simulation Approach

Kyung Il Kim; Robin Lawler; Hyun June Moon; Pavithra Narayanan; Miles A. Sakwa-Novak; Christopher W. Jones; Seung Soon Jang

doi:10.1021/acsomega.0c05923

Distribution and Transport of CO2 in Hydrated Hyperbranched Poly(ethylenimine) Membranes: A Molecular Dynamics Simulation Approach

ACS Omega ◽

10.1021/acsomega.0c05923 ◽

2021 ◽

Vol 6 (4) ◽

pp. 3390-3398

Author(s):

Kyung Il Kim ◽

Robin Lawler ◽

Hyun June Moon ◽

Pavithra Narayanan ◽

Miles A. Sakwa-Novak ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Approach ◽

Hyperbranched Poly

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Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach

Current Computer - Aided Drug Design ◽

10.2174/1573409912666160906093025 ◽

2017 ◽

Vol 13 (1) ◽

pp. 30-38

Author(s):

Sajjad Ahrari ◽

Fatemeh Dabbagh ◽

Sobhan Ahrari ◽

Younes Ghasemi ◽

Navid Mogharrab ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rational Design ◽

Dynamics Simulation ◽

Urate Oxidase ◽

Simulation Approach ◽

Mutant Variant

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Interaction of water with α,α-trehalose in solution: molecular dynamics simulation approach

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9949002731 ◽

1994 ◽

Vol 90 (18) ◽

pp. 2731-2735 ◽

Cited By ~ 90

Author(s):

Maria C. Donnamaria ◽

Eduardo I. Howard ◽

J. Raul Grigera

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Approach

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Characterization of the molten globule state of retinol-binding protein using a molecular dynamics simulation approach

FEBS Journal ◽

10.1111/j.1742-4658.2005.04898.x ◽

2005 ◽

Vol 272 (18) ◽

pp. 4826-4838 ◽

Cited By ~ 8

Author(s):

Emanuele Paci ◽

Lesley H. Greene ◽

Rachel M. Jones ◽

Lorna J. Smith

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Binding Protein ◽

Molten Globule ◽

Retinol Binding Protein ◽

Dynamics Simulation ◽

Simulation Approach ◽

Molten Globule State

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Effect of monomeric sequence on transport properties of d-glucose and ascorbic acid in poly(VP-co-HEMA) hydrogels with various water contents: molecular dynamics simulation approach

Theoretical Chemistry Accounts ◽

10.1007/s00214-012-1206-y ◽

2012 ◽

Vol 131 (4) ◽

Cited By ~ 9

Author(s):

Seung Geol Lee ◽

Wonsang Koh ◽

Giuseppe F. Brunello ◽

Ji Il Choi ◽

David G. Bucknall ◽

...

Keyword(s):

Molecular Dynamics ◽

Ascorbic Acid ◽

Molecular Dynamics Simulation ◽

Transport Properties ◽

Dynamics Simulation ◽

Simulation Approach ◽

Water Contents

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In Silico Mutation and Binding Studies of Human FVIIa γ-Carboxyglutamic Acid-Domain to Endothelial Protein C Receptor: A Molecular Dynamics Simulation Approach

ACS Omega ◽

10.1021/acsomega.8b02647 ◽

2019 ◽

Vol 4 (1) ◽

pp. 496-508

Author(s):

Suparna Banerjee ◽

Ramesh Prasad ◽

Prosenjit Sen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

In Silico ◽

Protein C ◽

Dynamics Simulation ◽

Simulation Approach ◽

Endothelial Protein C Receptor ◽

Binding Studies ◽

Carboxyglutamic Acid ◽

Acid Domain

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Understanding the biological role of PqqB in Pseudomonas stutzeri using molecular dynamics simulation approach

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2020.1854860 ◽

2020 ◽

pp. 1-13

Author(s):

Prassan Choudhary ◽

Arpan Bhowmik ◽

Hillol Chakdar ◽

Mohammad Aqueel Khan ◽

Chandrabose Selvaraj ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Pseudomonas Stutzeri ◽

Biological Role ◽

Dynamics Simulation ◽

Simulation Approach

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Pt3MeAu (Me = Ni, Cu) Fuel Cell Nanocatalyst Growth, Shapes, and Efficiency: A Molecular Dynamics Simulation Approach

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b06476 ◽

2019 ◽

Vol 123 (49) ◽

pp. 29656-29664 ◽

Cited By ~ 1

Author(s):

Pascal Brault ◽

Christophe Coutanceau ◽

Amaël Caillard ◽

Stève Baranton

Keyword(s):

Molecular Dynamics ◽

Fuel Cell ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Approach

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In silico assessment of human Calprotectin subunits (S100A8/A9) in presence of sodium and calcium ions using Molecular Dynamics simulation approach

PLoS ONE ◽

10.1371/journal.pone.0224095 ◽

2019 ◽

Vol 14 (10) ◽

pp. e0224095 ◽

Cited By ~ 1

Author(s):

Nematollah Gheibi ◽

Mohammad Ghorbani ◽

Hanifeh Shariatifar ◽

Alireza Farasat

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Calcium Ions ◽

In Silico ◽

Dynamics Simulation ◽

Simulation Approach

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Determining the elastic constants of hydrocarbons of heavy oil products using molecular dynamics simulation approach

Journal of Petroleum Science and Engineering ◽

10.1016/j.petrol.2014.12.021 ◽

2015 ◽

Vol 126 ◽

pp. 124-130 ◽

Cited By ~ 3

Author(s):

Maksym S. Stetsenko

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Elastic Constants ◽

Heavy Oil ◽

Oil Products ◽

Dynamics Simulation ◽

Simulation Approach

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Interaction of bombolitin II with a membrane-mimetic environment: an NMR and molecular dynamics simulation approach

Biophysical Chemistry ◽

10.1016/s0301-4622(02)00174-6 ◽

2002 ◽

Vol 101-102 ◽

pp. 577-591 ◽

Cited By ~ 8

Author(s):

Luca Monticelli ◽

Davide Pedini ◽

Elisabetta Schievano ◽

Stefano Mammi ◽

Evaristo Peggion

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Approach ◽

Membrane Mimetic

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