Application of molecular dynamics simulation in the study of protein structure and function

Mapping Intimacies ◽

10.32657/10356/62909 ◽

2015 ◽

Author(s):

Raudah Mohamed Lazim Siti

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Molecular Dynamics Simulation ◽

Structure And Function ◽

Dynamics Simulation ◽

Protein Structure And Function ◽

And Function

Download Full-text

Effect of Lipid Unsaturation on Membrane Protein Structure and Function from Multi-Microsecond Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2011.11.2725 ◽

2012 ◽

Vol 102 (3) ◽

pp. 498a

Author(s):

Igor Vorobyov ◽

Matthew B. Roark ◽

Scott E. Feller ◽

Toby W. Allen

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Membrane Protein ◽

Molecular Dynamics Simulations ◽

Structure And Function ◽

Membrane Protein Structure ◽

Protein Structure And Function ◽

Lipid Unsaturation ◽

Dynamics Simulations ◽

And Function

Download Full-text

Long-timescale molecular dynamics simulations of protein structure and function

Current Opinion in Structural Biology ◽

10.1016/j.sbi.2009.03.004 ◽

2009 ◽

Vol 19 (2) ◽

pp. 120-127 ◽

Cited By ~ 493

Author(s):

John L Klepeis ◽

Kresten Lindorff-Larsen ◽

Ron O Dror ◽

David E Shaw

Keyword(s):

Molecular Dynamics ◽

Protein Structure ◽

Molecular Dynamics Simulations ◽

Structure And Function ◽

Protein Structure And Function ◽

Dynamics Simulations ◽

And Function

Download Full-text

Investigating the effect of 1-Butyl-3-methylimidazolium bromide and 1-Butyl-3-methylimidazolium methyl sulfate ionic liquids on structure and function of Chloroproxidase by molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115850 ◽

2021 ◽

pp. 115850

Author(s):

S. Maryam Ghorbani ◽

Mohammad Reza Housaindokht ◽

Mohammad Reza Bozorgmehr

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Structure And Function ◽

Dynamics Simulation ◽

Methyl Sulfate ◽

And Function

Download Full-text

Human skin barrier structure and function analyzed by cryo-EM and molecular dynamics simulation

Journal of Structural Biology ◽

10.1016/j.jsb.2018.04.005 ◽

2018 ◽

Vol 203 (2) ◽

pp. 149-161 ◽

Cited By ~ 26

Author(s):

Magnus Lundborg ◽

Ali Narangifard ◽

Christian L. Wennberg ◽

Erik Lindahl ◽

Bertil Daneholt ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Human Skin ◽

Skin Barrier ◽

Structure And Function ◽

Dynamics Simulation ◽

Barrier Structure ◽

And Function

Download Full-text

Structure and Function of p53-DNA Complexes with Inactivation and Rescue Mutations: A Molecular Dynamics Simulation Study

PLoS ONE ◽

10.1371/journal.pone.0134638 ◽

2015 ◽

Vol 10 (8) ◽

pp. e0134638 ◽

Cited By ~ 18

Author(s):

Balu Kamaraj ◽

Annemie Bogaerts

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structure And Function ◽

Dynamics Simulation ◽

Dna Complexes ◽

And Function

Download Full-text

The effects of single-walled carbon nanotubes (SWCNTs) on the structure and function of human serum albumin (HSA): Molecular docking and molecular dynamics simulation studies

Structural Chemistry ◽

10.1007/s11224-017-0963-6 ◽

2017 ◽

Vol 28 (6) ◽

pp. 1815-1822 ◽

Cited By ~ 2

Author(s):

Mehdi Sahihi ◽

Ghazal Borhan

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Docking ◽

Molecular Dynamics Simulation ◽

Single Walled Carbon Nanotubes ◽

Structure And Function ◽

Dynamics Simulation ◽

Simulation Studies ◽

And Function ◽

Walled Carbon Nanotubes

Download Full-text

Faculty Opinions recommendation of A minimal sequence code for switching protein structure and function.

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

10.3410/f.1367956.838071 ◽

2010 ◽

Author(s):

H Jane Dyson ◽

Gira Bhabha

Keyword(s):

Protein Structure ◽

Structure And Function ◽

Protein Structure And Function ◽

Sequence Code ◽

Minimal Sequence ◽

And Function

Download Full-text

Faculty Opinions recommendation of A minimal sequence code for switching protein structure and function.

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

10.3410/f.1367956.1868054 ◽

2010 ◽

Author(s):

Nick Grishin

Keyword(s):

Protein Structure ◽

Structure And Function ◽

Protein Structure And Function ◽

Sequence Code ◽

Minimal Sequence ◽

And Function

Download Full-text

Faculty Opinions recommendation of Small-molecule structure correctors target abnormal protein structure and function: structure corrector rescue of apolipoprotein E4-associated neuropathology.

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

10.3410/f.717959324.793462720 ◽

2012 ◽

Author(s):

John Lowe

Keyword(s):

Protein Structure ◽

Small Molecule ◽

Structure And Function ◽

Function Structure ◽

Protein Structure And Function ◽

Abnormal Protein ◽

Apolipoprotein E4 ◽

Molecule Structure ◽

And Function

Download Full-text

Order-disorder transitions of cytoplasmic N-termini in the mechanisms of P-type ATPases

Faraday Discussions ◽

10.1039/d0fd00040j ◽

2020 ◽

Author(s):

Khondker Rufaka Hossain ◽

Daniel Clayton ◽

Sophia C Goodchild ◽

Alison Rodger ◽

Richard James Payne ◽

...

Keyword(s):

Protein Structure ◽

Membrane Protein ◽

Structure And Function ◽

Membrane Protein Structure ◽

Protein Structure And Function ◽

Lipid Environment ◽

Membrane Pumps ◽

And Function ◽

P Type

Membrane protein structure and function are modulated via interactions with their lipid environment. This is particularly true for the integral membrane pumps, the P-type ATPases. These ATPases play vital roles...

Download Full-text