Syma Khalid
Cited by
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Coarse-grained molecular dynamics simulations of membrane proteins and peptides
PJ Bond, J Holyoake, A Ivetac, S Khalid, MSP Sansom
Journal of structural biology 157 (3), 593-605, 2007
Electroporation of the E. coli and S. aureus membranes: molecular dynamics simulations of complex bacterial membranes
TJ Piggot, DA Holdbrook, S Khalid
The journal of physical chemistry B 115 (45), 13381-13388, 2011
Membrane protein structure, function, and dynamics: a perspective from experiments and theory
Z Cournia, TW Allen, I Andricioaei, B Antonny, D Baum, G Brannigan, ...
The Journal of membrane biology 248, 611-640, 2015
Coarse-grained MD simulations of membrane protein-bilayer self-assembly
KA Scott, PJ Bond, A Ivetac, AP Chetwynd, S Khalid, MSP Sansom
Structure 16 (4), 621-630, 2008
Intramolecular DNA coiling mediated by metallo-supramolecular cylinders: differential binding of P and M helical enantiomers
I Meistermann, V Moreno, MJ Prieto, E Moldrheim, E Sletten, S Khalid, ...
Proceedings of the National Academy of Sciences 99 (8), 5069-5074, 2002
Molecular dynamics simulations of phosphatidylcholine membranes: a comparative force field study
TJ Piggot, A Pineiro, S Khalid
Journal of chemical theory and computation 8 (11), 4593-4609, 2012
Outer membrane protein G: Engineering a quiet pore for biosensing
M Chen, S Khalid, MSP Sansom, H Bayley
Proceedings of the National Academy of Sciences 105 (17), 6272-6277, 2008
Protein assemblies ejected directly from native membranes yield complexes for mass spectrometry
DS Chorev, LA Baker, D Wu, V Beilsten-Edmands, SL Rouse, ...
Science 362 (6416), 829-834, 2018
Interaction of the Antimicrobial Peptide Polymyxin B1 with Both Membranes of E. coli: A Molecular Dynamics Study
NA Berglund, TJ Piggot, D Jefferies, RB Sessions, PJ Bond, S Khalid
PLoS computational biology 11 (4), e1004180, 2015
CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides
PC Hsu, BMH Bruininks, D Jefferies, P Cesar Telles de Souza, J Lee, ...
Journal of computational chemistry 38 (27), 2354-2363, 2017
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity
DJ Huggins, PC Biggin, MA Dämgen, JW Essex, SA Harris, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1393, 2019
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ...
The International Journal of High Performance Computing Applications 35 (5 …, 2021
Combining native and ‘omics’ mass spectrometry to identify endogenous ligands bound to membrane proteins
J Gault, I Liko, M Landreh, D Shutin, JR Bolla, D Jefferies, M Agasid, ...
Nature methods 17 (5), 505-508, 2020
An accurate in vitro model of the E. coli envelope
LA Clifton, SA Holt, AV Hughes, EL Daulton, W Arunmanee, F Heinrich, ...
Angewandte Chemie International Edition 54 (41), 11952-11955, 2015
Single-stranded DNA within nanopores: conformational dynamics and implications for sequencing; a molecular dynamics simulation study
AT Guy, TJ Piggot, S Khalid
Biophysical journal 103 (5), 1028-1036, 2012
Membrane recognition and dynamics of the RNA degradosome
H Strahl, C Turlan, S Khalid, PJ Bond, JM Kebalo, P Peyron, L Poljak, ...
PLoS genetics 11 (2), e1004961, 2015
OmpA: a flexible clamp for bacterial cell wall attachment
F Samsudin, ML Ortiz-Suarez, TJ Piggot, PJ Bond, S Khalid
Structure 24 (12), 2227-2235, 2016
A positively charged channel within the Smc1/Smc3 hinge required for sister chromatid cohesion
A Kurze, KA Michie, SE Dixon, A Mishra, T Itoh, S Khalid, L Strmecki, ...
The EMBO journal 30 (2), 364-378, 2011
Self-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channel
T Carpenter, PJ Bond, S Khalid, MSP Sansom
Biophysical Journal 95 (8), 3790-3801, 2008
PyCGTOOL: automated generation of coarse-grained molecular dynamics models from atomistic trajectories
JA Graham, JW Essex, S Khalid
Journal of chemical information and modeling 57 (4), 650-656, 2017
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