Chapter 7. Bridging the Gap Between Atomistic Molecular Dynamics Simulations and Wet-lab Experimental Techniques: Applications to Membrane Proteins

Experimental Techniques ◽

Wet Lab ◽

Faculty Opinions recommendation of Molecular dynamics simulations of large integral membrane proteins with an implicit membrane model.

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

10.3410/f.1031397.363724 ◽

2006 ◽

Author(s):

D Peter Tieleman

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

Integral Membrane Proteins ◽

Membrane Model ◽

Molecular Dynamics Simulations of Membrane Proteins

Methods in Molecular Biology - Membrane Biogenesis ◽

10.1007/978-1-62703-487-6_6 ◽

2013 ◽

pp. 85-101 ◽

Cited By ~ 11

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Tsjerk A. Wassenaar ◽

Rainer A. Böckmann

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

The effect of aqueous polyimide sizing agent on PEEK based carbon fiber composites using experimental techniques and molecular dynamics simulations

Functional Composites and Structures ◽

10.1088/2631-6331/ab8884 ◽

2020 ◽

Vol 2 (2) ◽

pp. 025001 ◽

Cited By ~ 1

Author(s):

Hana Jung ◽

Kwak Jin Bae ◽

Jeong-un Jin ◽

Yuna Oh ◽

Hyunkee Hong ◽

...

Keyword(s):

Molecular Dynamics ◽

Carbon Fiber ◽

Fiber Composites ◽

Experimental Techniques ◽

Carbon Fiber Composites ◽

Folding and Assembly of Membrane Proteins: Coarse Grained Molecular Dynamics Simulations of EmrE

Biophysical Journal ◽

10.1016/j.bpj.2008.12.2843 ◽

2009 ◽

Vol 96 (3) ◽

pp. 379a

Author(s):

Kia Balali-mood ◽

Mark S.P. Sansom

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

Coarse Grained ◽

Dynamics Simulations ◽

Coarse Grained Molecular Dynamics

Molecular Dynamics Simulations of Membrane Proteins

Methods in Molecular Biology - Molecular Modeling of Proteins ◽

10.1007/978-1-59745-177-2_8 ◽

2008 ◽

pp. 147-160 ◽

Cited By ~ 20

Author(s):

Philip C. Biggin ◽

Peter J. Bond

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

Integrating hydrogen–deuterium exchange mass spectrometry with molecular dynamics simulations to probe lipid-modulated conformational changes in membrane proteins

Nature Protocols ◽

10.1038/s41596-019-0219-6 ◽

2019 ◽

Vol 14 (11) ◽

pp. 3183-3204 ◽

Cited By ~ 10

Author(s):

Chloe Martens ◽

Mrinal Shekhar ◽

Andy M. Lau ◽

Emad Tajkhorshid ◽

Argyris Politis

Keyword(s):

Mass Spectrometry ◽

Molecular Dynamics ◽

Membrane Proteins ◽

Conformational Changes ◽

Hydrogen Deuterium Exchange ◽

Exchange Mass Spectrometry ◽

Hydrogen Deuterium ◽

Deuterium Exchange Mass Spectrometry ◽

Molecular dynamics simulations of membrane proteins

Biophysical Reviews ◽

10.1007/s12551-012-0084-9 ◽

2012 ◽

Vol 4 (3) ◽

pp. 271-282 ◽

Cited By ~ 8

Author(s):

Turgut Baştuğ ◽

Serdar Kuyucak

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

Showcasing modern molecular dynamics simulations of membrane proteins through G protein-coupled receptors

Current Opinion in Structural Biology ◽

10.1016/j.sbi.2011.06.008 ◽

2011 ◽

Vol 21 (4) ◽

pp. 552-558 ◽

Cited By ~ 56

Author(s):

Jennifer M Johnston ◽

Marta Filizola

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

G Protein ◽

G Protein Coupled Receptors ◽

Dynamics Simulations ◽

G Protein Coupled

Structural-Function Study of Membrane Proteins with Restrained-Ensemble and Dummy Spin-Label Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2015.11.3446 ◽

2016 ◽

Vol 110 (3) ◽

pp. 644a

Author(s):

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Giacomo Florin ◽

Yifei Qi ◽

Rong Shen ◽

Wei Han ◽

...

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

Spin Label ◽

Structural Function ◽

Function Study ◽

Membrane proteins: molecular dynamics simulations

Current Opinion in Structural Biology ◽

10.1016/j.sbi.2008.02.003 ◽

2008 ◽

Vol 18 (4) ◽

pp. 425-431 ◽

Cited By ~ 219

Author(s):

E LINDAHL ◽

M SANSOM

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽