Multiple conformational states and gate opening of outer membrane protein TolC revealed by molecular dynamics simulations

Outer Membrane ◽

Outer Membrane Protein ◽

Conformational States ◽

Gate Opening ◽

Faculty Opinions recommendation of Molecular dynamics simulations of the bacterial outer membrane protein FhuA: a comparative study of the ferrichrome-free and bound states.

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

10.3410/f.1015570.197506 ◽

2003 ◽

Author(s):

Tjerk P. Straatsma

Keyword(s):

Molecular Dynamics ◽

Membrane Protein ◽

Comparative Study ◽

Outer Membrane ◽

Outer Membrane Protein ◽

Bound States ◽

Bacterial Outer Membrane ◽

Molecular Dynamics Simulations of the Bacterial Outer Membrane Protein FhuA: A Comparative Study of the Ferrichrome-Free and Bound States

Biophysical Journal ◽

10.1016/s0006-3495(03)74573-1 ◽

2003 ◽

Vol 85 (3) ◽

pp. 1406-1420 ◽

Cited By ~ 67

Author(s):

José D. Faraldo-Gómez ◽

Graham R. Smith ◽

Mark S.P. Sansom

Keyword(s):

Molecular Dynamics ◽

Membrane Protein ◽

Comparative Study ◽

Outer Membrane ◽

Outer Membrane Protein ◽

Bound States ◽

Bacterial Outer Membrane ◽

Conformational dynamics and membrane interactions of the E. coli outer membrane protein FecA: A molecular dynamics simulation study

Biochimica et Biophysica Acta (BBA) - Biomembranes ◽

10.1016/j.bbamem.2012.08.021 ◽

2013 ◽

Vol 1828 (2) ◽

pp. 284-293 ◽

Cited By ~ 41

Author(s):

Thomas J. Piggot ◽

Daniel A. Holdbrook ◽

Syma Khalid

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Membrane Protein ◽

Outer Membrane ◽

Simulation Study ◽

Outer Membrane Protein ◽

Conformational Dynamics ◽

Dynamics Simulation ◽

Membrane Interactions ◽

E Coli

Molecular dynamics simulations of outer-membrane protease T fromE. colibased on a hybrid coarse-grained/atomistic potential

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/18/14/s16 ◽

2006 ◽

Vol 18 (14) ◽

pp. S347-S355 ◽

Cited By ~ 10

Author(s):

Marilisa Neri ◽

Claudio Anselmi ◽

Vincenzo Carnevale ◽

Attilio V Vargiu ◽

Paolo Carloni

Keyword(s):

Molecular Dynamics ◽

Outer Membrane ◽

Coarse Grained ◽

Molecular dynamics simulations of bacterial outer membrane lipid extraction: Adequate sampling?

The Journal of Chemical Physics ◽

10.1063/5.0017734 ◽

2020 ◽

Vol 153 (4) ◽

pp. 044122

Author(s):

Jonathan Shearer ◽

Jan K. Marzinek ◽

Peter J. Bond ◽

Syma Khalid

Keyword(s):

Molecular Dynamics ◽

Outer Membrane ◽

Lipid Extraction ◽

Membrane Lipid ◽

Adequate Sampling ◽

Bacterial Outer Membrane ◽

Conformational states of Zika virus non-structural protein 3 determined by molecular dynamics simulations with small-angle X-Ray scattering data

Progress in Biophysics and Molecular Biology ◽

10.1016/j.pbiomolbio.2018.09.005 ◽

2019 ◽

Vol 143 ◽

pp. 13-19

Author(s):

Guanhua Zhu ◽

Ankita Pan ◽

Gerhard Grüber ◽

Lanyuan Lu

Keyword(s):

Molecular Dynamics ◽

Small Angle ◽

Zika Virus ◽

Scattering Data ◽

Structural Protein ◽

Conformational States ◽

X Ray ◽

X Ray Scattering ◽

2P158 Molecular Dynamics Simulations of Mechano-Gating in the E-coli Mechanosensitive Channel MscL(34. Membrane protein,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)

Seibutsu Butsuri ◽

10.2142/biophys.46.s335_2 ◽

2006 ◽

Vol 46 (supplement2) ◽

pp. S335

Author(s):

Yasuyuki Sawada ◽

Masaki Murase ◽

Masahiro Sokabe

Keyword(s):

Molecular Dynamics ◽

Membrane Protein ◽

Poster Session ◽

Mechanosensitive Channel ◽

E Coli ◽

Meeting Program ◽

Charge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems

Biochimica et Biophysica Acta (BBA) - Biomembranes ◽

10.1016/j.bbamem.2011.09.016 ◽

2012 ◽

Vol 1818 (2) ◽

pp. 318-329 ◽

Cited By ~ 27

Author(s):

Timothy R. Lucas ◽

Brad A. Bauer ◽

Sandeep Patel

Keyword(s):

Molecular Dynamics ◽

Membrane Protein ◽

Force Fields ◽

Integral Membrane Protein ◽

Charge Equilibration ◽

All-atom Molecular Dynamics Simulations of a Membrane Protein Stabilizing Polymer

Biophysical Journal ◽

10.1016/j.bpj.2008.12.107 ◽

2009 ◽

Vol 96 (3) ◽

pp. 41a

Author(s):

William J. Drasler ◽

Jonathan N. Sachs

Keyword(s):

Molecular Dynamics ◽

Membrane Protein ◽

Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand‐bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2011.01101.x ◽

2011 ◽

Vol 77 (6) ◽

pp. 412-420 ◽

Cited By ~ 33

Author(s):

William Sinko ◽

César de Oliveira ◽

Sarah Williams ◽

Adam Van Wynsberghe ◽

Jacob D. Durrant ◽

...

Keyword(s):

Molecular Dynamics ◽

Conformational States ◽

Dynamics Simulations ◽

Antibacterial Target