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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.Methods in Molecular Biology (Clifton, N.J.)|June 21, 2019
Multiscale Modeling and Simulation Approaches to Lipid-Protein InteractionsRoland G Huber, Timothy S Carpenter, Namita Dube, 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.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.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.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.Structure (London, England : 1993)|June 6, 2022
Uncovering cryptic pockets in the SARS-CoV-2 spike glycoproteinLorena Zuzic, Firdaus Samsudin, Aishwary T Shivgan, 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.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.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.Pageof 29