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The Journal of Physical Chemistry. B|March 7, 2019
Movement of Arginine through OprD: The Energetics of Permeation and the Role of Lipopolysaccharide in Directing Arginine to the ProteinFirdaus Samsudin, Syma KhalidBiophysical Journal|November 25, 2014
Atomistic molecular-dynamics simulations enable prediction of the arginine permeation pathway through OccD1/OprD from Pseudomonas aeruginosaJamie Parkin, Syma KhalidCommunications Biology|December 5, 2025
Polymyxins slow down lateral diffusion of proteins and lipopolysaccharide in the E. coli outer membraneDheeraj Prakaash, Syma KhalidCurrent Opinion in Structural Biology|February 2, 2020
Simulation of subcellular structuresSyma Khalid, Sarah L RouseProtein and Peptide Letters|August 3, 2010
Antimicrobial and cell-penetrating peptides: structure, assembly and mechanisms of membrane lysis via atomistic and coarse-grained molecular dynamics simulationsPeter J Bond, Syma KhalidPlos Computational Biology|January 13, 2023
Conformational dynamics and putative substrate extrusion pathways of the N-glycosylated outer membrane factor CmeC from Campylobacter jejuniKahlan E Newman, Syma KhalidMethods in Molecular Biology (Clifton, N.J.)|October 5, 2012
Multiscale molecular dynamics simulations of membrane proteinsSyma Khalid, Peter J BondScientific Reports|March 8, 2019
Details of hydrophobic entanglement between small molecules and Braun's lipoprotein within the cavity of the bacterial chaperone LolAAlister Boags, Firdaus Samsudin, Syma KhalidJournal of Computational Chemistry|August 5, 2017
CHARMM-GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharidesPin-Chia Hsu, Bart M H Bruininks, Damien Jefferies, et al.Molecular Membrane Biology|November 28, 2006
Molecular dynamics simulations of a bacterial autotransporter: NalP from Neisseria meningitidisSyma Khalid, Mark S P SansomPageof 14