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Biochemistry|May 10, 2016
Molecular Dynamics Simulations Reveal the Conformational Flexibility of Lipid II and Its Loose Association with the Defensin Plectasin in the Staphylococcus aureus MembraneSarah Witzke, Michael Petersen, Timothy S Carpenter, et al.Scientific Reports|August 11, 2015
DNA sequencing with MspA: Molecular Dynamics simulations reveal free-energy differences between sequencing and non-sequencing mutantsRichard M A Manara, E Jayne Wallace, Syma KhalidMolecular Membrane Biology|November 7, 2008
Conformational dynamics of the mitochondrial ADP/ATP carrier: a simulation studyJennifer M Johnston, Syma Khalid, Mark S P SansomStructure (London, England : 1993)|February 12, 2021
The hitchhiker's guide to the periplasm: Unexpected molecular interactions of polymyxin B1 in E. coliConrado Pedebos, Iain Peter Shand Smith, Alister Boags, et al.Journal of Molecular Graphics & Modelling|October 7, 2006
Shape effects on the activity of synthetic major-groove binding ligandsSyma Khalid, Michael J Hannon, Alison Rodger, et al.Proceedings of the National Academy of Sciences of the United States of America|April 30, 2008
Outer membrane protein G: Engineering a quiet pore for biosensingMin Chen, Syma Khalid, Mark S P Sansom, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 24, 2006
Simulations of DNA coiling around a synthetic supramolecular cylinder that binds in the DNA major grooveSyma Khalid, Michael J Hannon, Alison Rodger, et al.Microbiology (Reading, England)|March 16, 2022
What have molecular simulations contributed to understanding of Gram-negative bacterial cell envelopes?Syma Khalid, Cyril Schroeder, Peter J Bond, et al.The Journal of Chemical Physics|August 6, 2020
Molecular dynamics simulations of bacterial outer membrane lipid extraction: Adequate sampling?Jonathan Shearer, Jan K Marzinek, Peter J Bond, et al.Biophysical Journal|July 16, 2008
Self-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channelTimothy Carpenter, Peter J Bond, Syma Khalid, et al.Pageof 14