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The Journal of Physical Chemistry. B|October 8, 2016
Molecular Dynamics Simulations Predict the Pathways via Which Pristine Fullerenes Penetrate Bacterial MembranesPin-Chia Hsu, Damien Jefferies, Syma KhalidThe Journal of Physical Chemistry Letters|August 13, 2016
The Free Energy of Small Solute Permeation through the Escherichia coli Outer Membrane Has a Distinctly Asymmetric ProfileTimothy S Carpenter, Jamie Parkin, Syma KhalidStructure (London, England : 1993)|February 5, 2019
Binding from Both Sides: TolR and Full-Length OmpA Bind and Maintain the Local Structure of the E. coli Cell WallAlister T Boags, Firdaus Samsudin, Syma KhalidPlos Genetics|February 4, 2015
Membrane recognition and dynamics of the RNA degradosomeHenrik Strahl, Catherine Turlan, Syma Khalid, et al.Journal of Chemical Information and Modeling|March 28, 2017
PyCGTOOL: Automated Generation of Coarse-Grained Molecular Dynamics Models from Atomistic TrajectoriesJames A Graham, Jonathan W Essex, Syma KhalidThe Journal of Physical Chemistry. B|October 6, 2011
Electroporation of the E. coli and S. Aureus membranes: molecular dynamics simulations of complex bacterial membranesThomas J Piggot, Daniel A Holdbrook, Syma KhalidNanomaterials (Basel, Switzerland)|March 29, 2017
The Nucleotide Capture Region of Alpha Hemolysin: Insights into Nanopore Design for DNA Sequencing from Molecular Dynamics SimulationsRichard M A Manara, Susana Tomasio, Syma KhalidBiophysical Reviews|January 20, 2022
Polymyxin B1 within the E. coli cell envelope: insights from molecular dynamics simulationsDhanushka Weerakoon, Kamen Petrov, Conrado Pedebos, et al.The Journal of Physical Chemistry. B|March 8, 2024
Molecular Crowding Alters the Interactions of Polymyxin Lipopeptides within the Periplasm of E. coli: Insights from Molecular DynamicsIain P S Smith, Conrado Pedebos, Syma KhalidBiochimica Et Biophysica Acta|September 11, 2012
Conformational dynamics and membrane interactions of the E. coli outer membrane protein FecA: a molecular dynamics simulation studyThomas J Piggot, Daniel A Holdbrook, Syma KhalidPageof 29