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Biophysical Journal|July 17, 2014
The NorM MATE transporter from N. gonorrhoeae: insights into drug and ion binding from atomistic molecular dynamics simulationsYuk Ming Leung, Daniel A Holdbrook, Thomas J Piggot, et al.Biophysical Journal|August 29, 2025
Atomistic modelling of lysophospholipids from the Campylobacter jejuni lipidomeKahlan E Newman, Astrid F Brandner, Jonathan W Essex, et al.Nanoscale|January 12, 2021
Translocation of flexible and tensioned ssDNA through in silico designed hydrophobic nanopores with two constrictionsPunam Rattu, Bastien Belzunces, Taylor Haynes, et al.Biochimica Et Biophysica Acta|July 3, 2007
OmpA: gating and dynamics via molecular dynamics simulationsSyma Khalid, Peter J Bond, Timothy Carpenter, et al.Langmuir : the ACS Journal of Surfaces and Colloids|June 29, 2010
DNA lipoplexes: formation of the inverse hexagonal phase observed by coarse-grained molecular dynamics simulationJosephine Corsi, Robert W Hawtin, Oscar Ces, et al.Proteins|January 7, 2006
Modeling and simulations of a bacterial outer membrane protein: OprF from Pseudomonas aeruginosaSyma Khalid, Peter J Bond, Sundeep S Deol, et al.Journal of Inorganic Biochemistry|August 28, 2007
Influence of surface shape on DNA binding of bimetallo helicatesJemma C Peberdy, Jaroslav Malina, Syma Khalid, et al.Methods in Molecular Biology (Clifton, N.J.)|February 14, 2013
The simulation approach to lipid-protein interactionsTeresa Paramo, Diana Garzón, Daniel A Holdbrook, et al.Journal of Chemical Theory and Computation|July 15, 2024
Faster but Not Sweeter: A Model of Escherichia coli Re-level Lipopolysaccharide for Martini 3 and a Martini 2 Version with Accelerated KineticsAstrid F Brandner, Dheeraj Prakaash, Alexandre Blanco González, et al.Journal of Chemical Theory and Computation|November 19, 2015
Free-energy calculations reveal the subtle differences in the interactions of DNA bases with α-hemolysinRichard M A Manara, Andrew T Guy, E Jayne Wallace, et al.Pageof 14