Syma Khalid

Best Publications

• Electroporation of the E. coli and S. Aureus Membranes: Molecular Dynamics Simulations of Complex Bacterial Membranes

  Thomas J. Piggot;Daniel A. Holdbrook;Syma Khalid

  274
  Citations

• Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory

  Zoe Cournia;Toby W. Allen;Toby W. Allen;Ioan Andricioaei;Bruno Antonny

  259
  Citations

• CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides

  Pin-Chia Hsu;Bart M H Bruininks;Damien Jefferies;Paulo Cesar Telles de Souza

  218
  Citations

• Outer membrane protein G: engineering a quiet pore for biosensing

  Min Chen;Syma Khalid;Mark S. P. Sansom;Hagan Bayley

  215
  Citations

• Interaction of the Antimicrobial Peptide Polymyxin B1 with Both Membranes of E. coli: A Molecular Dynamics Study

  Nils A. Berglund;Thomas J. Piggot;Damien Jefferies;Richard B. Sessions

  194
  Citations

• AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

  Lorenzo Casalino;Abigail C. Dommer;Zied Gaieb;Emilia P. Barros

  147
  Citations

• An accurate in vitro model of the E. coli envelope.

  Luke A. Clifton;Stephen A. Holt;Arwel V. Hughes;Emma L. Daulton

  131
  Citations

• OmpA: A Flexible Clamp for Bacterial Cell Wall Attachment.

  Firdaus Samsudin;Maite L. Ortiz-Suarez;Thomas J. Piggot;Peter J. Bond;Peter J. Bond

  130
  Citations

• Single-stranded DNA within nanopores: conformational dynamics and implications for sequencing; a molecular dynamics simulation study.

  Andrew T. Guy;Thomas J. Piggot;Syma Khalid

  128
  Citations

• Membrane Recognition and Dynamics of the RNA Degradosome

  Henrik Strahl;Catherine Turlan;Syma Khalid;Peter J. Bond

  122
  Citations

• #COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

  Unknown

  97
  Citations

• A positively charged channel within the Smc1/Smc3 hinge required for sister chromatid cohesion

  Alexander Kurze;Katharine A Michie;Sarah E Dixon;Ajay Mishra

  95
  Citations

• Lipids mediate supramolecular outer membrane protein assembly in bacteria

  Unknown

  92
  Citations

• Conformational dynamics and membrane interactions of the E. coli outer membrane protein FecA: a molecular dynamics simulation study.

  Thomas J. Piggot;Daniel A. Holdbrook;Syma Khalid

  84
  Citations

• The lipoprotein Pal stabilises the bacterial outer membrane during constriction by a mobilisation-and-capture mechanism

  Joanna Szczepaniak;Peter Holmes;Peter Holmes;Karthik Rajasekar;Renata Kaminska

  84
  Citations

• DNA and lipid bilayers: self-assembly and insertion

  Syma Khalid;Peter J Bond;Peter J Bond;John Holyoake;Robert W Hawtin

  83
  Citations

• OmpA: gating and dynamics via molecular dynamics simulations.

  Syma Khalid;Peter J. Bond;Timothy Carpenter;Mark S.P. Sansom

  78
  Citations

• Donor-strand exchange drives assembly of the TasA scaffold in Bacillus subtilis biofilms

  Unknown

  76
  Citations

• Full-Length OmpA: Structure, Function, and Membrane Interactions Predicted by Molecular Dynamics Simulations.

  Maite L. Ortiz-Suarez;Firdaus Samsudin;Thomas J. Piggot;Peter J. Bond;Peter J. Bond

  76
  Citations

• Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.

  Dijun Du;Arthur Neuberger;Mona Wu Orr;Catherine E. Newman

  72
  Citations