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The Journal of Physical Chemistry Letters|May 4, 2017
Progress in Molecular Dynamics Simulations of Gram-Negative Bacterial Cell EnvelopesAlister Boags, Pin-Chia Hsu, Firdaus Samsudin, et al.Biochimica Et Biophysica Acta|September 18, 2012
Stability and membrane interactions of an autotransport protein: MD simulations of the Hia translocator domain in a complex membrane environmentDaniel A Holdbrook, Thomas J Piggot, Mark S P Sansom, et al.The Journal of Biological Chemistry|September 11, 2024
Polymyxin B1 in the Escherichia coli inner membrane: A complex story of protein and lipopolysaccharide-mediated insertionDhanushka Weerakoon, Jan K Marzinek, Conrado Pedebos, et al.Biophysical Journal|October 6, 2018
Prediction of the Closed Conformation and Insights into the Mechanism of the Membrane Enzyme LpxRGraham M Smeddle, Hannah E Bruce Macdonald, Jonathan W Essex, et al.Biochemistry|March 25, 2011
Molecular dynamics simulations of DNA within a nanopore: arginine-phosphate tethering and a binding/sliding mechanism for translocationPeter J Bond, Andrew T Guy, Andrew J Heron, et al.Journal of Structural Biology|November 23, 2006
Coarse-grained molecular dynamics simulations of membrane proteins and peptidesPeter J Bond, John Holyoake, Anthony Ivetac, et al.Database : the Journal of Biological Databases and Curation|December 21, 2010
Bookshelf: a simple curation system for the storage of biomolecular simulation dataShabana Vohra, Benjamin A Hall, Daniel A Holdbrook, et al.Current Opinion in Structural Biology|April 2, 2026
Computational microbiology: Where is artificial intelligence addressing the barriers to large-scale simulations of bacterial cell envelopes?Robert Clark, Iain Peter Shand Smith, James Gebbie-Rayet, et al.Biochemical Society Transactions|April 8, 2015
The membranes of Gram-negative bacteria: progress in molecular modelling and simulationSyma Khalid, Nils A Berglund, Daniel A Holdbrook, et al.Journal of the Royal Society, Interface|September 4, 2008
DNA and lipid bilayers: self-assembly and insertionSyma Khalid, Peter J Bond, John Holyoake, et al.Pageof 14