In-Silico Electrophysiology: On the Activation of Voltage-Gated Ion Channels using Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2015.11.633 ◽

2016 ◽

Vol 110 (3) ◽

pp. 107a ◽

Author(s):

Mounir Tarek ◽

Lucie Delemotte ◽

Marina Kasimova ◽

Michael L. Klein ◽

Vincenzo Carnevale

Keyword(s):

Molecular Dynamics ◽

Ion Channels ◽

Molecular Dynamics Simulations ◽

In Silico ◽

Voltage Gated ◽

Voltage Gated Ion Channels ◽

Dynamics Simulations ◽

Gated Ion Channels

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Effect of Sensor Domain Mutations on the Properties of Voltage-Gated Ion Channels: Molecular Dynamics Studies of the Potassium Channel Kv1.2

Biophysical Journal ◽

10.1016/j.bpj.2010.08.069 ◽

2010 ◽

Vol 99 (9) ◽

pp. L72-L74 ◽

Author(s):

Lucie Delemotte ◽

Werner Treptow ◽

Michael L. Klein ◽

Mounir Tarek

Keyword(s):

Molecular Dynamics ◽

Ion Channels ◽

Potassium Channel ◽

Voltage Gated ◽

Voltage Gated Ion Channels ◽

Gated Ion Channels

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In silico exploration of aryl sulfonamide analogs as voltage-gated sodium channel 1.7 inhibitors by using 3D-QSAR, molecular docking study, and molecular dynamics simulations

Computational Biology and Chemistry ◽

10.1016/j.compbiolchem.2018.10.009 ◽

2018 ◽

Vol 77 ◽

pp. 214-225 ◽

Author(s):

Mingxing Wang ◽

Ying Wang ◽

Dejiang Kong ◽

Hailun Jiang ◽

Jian Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Sodium Channel ◽

Molecular Dynamics Simulations ◽

In Silico ◽

3D Qsar ◽

Docking Study ◽

Molecular Docking Study ◽

Voltage Gated ◽

Dynamics Simulations

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Ketamine Inhibition of Pentameric Ligand-Gated Ion Channels - Insights from Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2016.11.2989 ◽

2017 ◽

Vol 112 (3) ◽

pp. 554a

Author(s):

Bogdan F. Ion ◽

Marta M. Wells ◽

Yan Xu ◽

Pei Tang

Keyword(s):

Molecular Dynamics ◽

Ion Channels ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Gated Ion Channels ◽

Ligand Gated Ion Channels

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Voltage-gated ion channels: Lipids in charge

Lipidomics Gateway ◽

10.1038/lipidmaps.2011.12 ◽

2011 ◽

Author(s):

Samia Burridge

Keyword(s):

Ion Channels ◽

Voltage Gated ◽

Voltage Gated Ion Channels ◽

Gated Ion Channels

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Faculty Opinions recommendation of Consequences of phosphate-arginine complexes in voltage-gated ion channels.

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

10.3410/f.1125814.582907 ◽

2008 ◽

Author(s):

Robert Ruff

Keyword(s):

Ion Channels ◽

Voltage Gated ◽

Voltage Gated Ion Channels ◽

Gated Ion Channels

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Voltage-Gated Ion Channels, New Targets in Anti-Cancer Research

Recent Patents on Anti-Cancer Drug Discovery ◽

10.2174/157489207782497244 ◽

2007 ◽

Vol 2 (3) ◽

pp. 189-202 ◽

Author(s):

Le Jean-Yves ◽

Ouadid-Ahidouch Halima ◽

Soriani Olivier ◽

Besson Pierre ◽

Ahidouch Ahmed ◽

...

Keyword(s):

Cancer Research ◽

Ion Channels ◽

Voltage Gated ◽

New Targets ◽

Anti Cancer ◽

Voltage Gated Ion Channels ◽

Gated Ion Channels

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In silico design of novel diamino-quinoline-5,8-dione derivatives as putative inhibitors of NAD(P)H:Quinone Oxidoreductase 1 based on docking studies and molecular dynamics simulations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.129906 ◽

2021 ◽

pp. 129906

Author(s):

Maryam Gholampour ◽

Amirhossein Sakhteman ◽

Somayeh Pirhadi ◽

Hassan Seradj

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

In Silico ◽

Docking Studies ◽

In Silico Design ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Ion Channels

Trends in Biochemical Sciences ◽

10.1016/j.tibs.2021.04.005 ◽

2021 ◽

Author(s):

Vincenzo Carnevale ◽

Lucie Delemotte ◽

Rebecca J. Howard

Keyword(s):

Molecular Dynamics ◽

Ion Channels ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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K+ and Na+ Conduction in Selective and Nonselective Ion Channels Via Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2013.08.049 ◽

2013 ◽

Vol 105 (8) ◽

pp. 1737-1745 ◽

Author(s):

Simone Furini ◽

Carmen Domene

Keyword(s):

Molecular Dynamics ◽

Ion Channels ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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In silico identification of antidiabetic target for phytochemicals of A. marmelos and mechanistic insights by molecular dynamics simulations

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2021.1944910 ◽

2021 ◽

pp. 1-18

Author(s):

Priyanka Sharma ◽

Tushar Joshi ◽

Shalini Mathpal ◽

Subhash Chandra ◽

Sushma Tamta

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

In Silico ◽

In Silico Identification ◽

Dynamics Simulations

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