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Scientific 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 Chemical Theory and Computation|March 9, 2019
Outer Membrane Proteins OmpA, FhuA, OmpF, EstA, BtuB, and OmpX Have Unique Lipopolysaccharide FingerprintsJonathan Shearer, Damien Jefferies, Syma KhalidMolecular Membrane Biology|November 28, 2006
Molecular dynamics simulations of a bacterial autotransporter: NalP from Neisseria meningitidisSyma Khalid, Mark S P SansomBiophysical Journal|August 6, 2015
Molecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent SuccessesJamie Parkin, Matthieu Chavent, Syma KhalidStructure (London, England : 1993)|May 22, 2018
A Thermodynamic Funnel Drives Bacterial Lipopolysaccharide Transfer in the TLR4 PathwayRoland G Huber, Nils A Berglund, Vasileios Kargas, et al.Journal of Chemical Theory and Computation|November 26, 2015
Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field StudyThomas J Piggot, Ángel Piñeiro, Syma KhalidJournal of Chemical Theory and Computation|February 25, 2026
Characterizing the Conformational Dynamics of the Ribose Transporter B Protein in Escherichia coli: Enhanced Sampling via Multiple Force FieldsNikolai Juraschko, Florencia Klein Rocha, Syma KhalidBiochemistry|March 2, 2017
Through the Lipopolysaccharide Glass: A Potent Antimicrobial Peptide Induces Phase Changes in MembranesDamien Jefferies, Pin-Chia Hsu, Syma KhalidQRB Discovery|May 1, 2024
Titratable residues that drive RND efflux: Insights from molecular simulationsRobert Clark, Kahlan E Newman, Syma KhalidAccounts of Chemical Research|December 19, 2018
Atomistic and Coarse Grain Simulations of the Cell Envelope of Gram-Negative Bacteria: What Have We Learned?Syma Khalid, Thomas J Piggot, Firdaus SamsudinPageof 29