Syma Khalid
Oxford, ENG OX13QU, United Kingdom
Last Updated: 09/26/2026
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Found 118 publications
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry.
Journal: Journal of chemical theory and computation
Published: April 23, 2026
Characterizing the Conformational Dynamics of the Ribose Transporter B Protein in Escherichia coli: Enhanced Sampling via Multiple Force Fields.
Journal: Journal of chemical theory and computation
Published: February 25, 2026
Computational microbiology: Where is artificial intelligence addressing the barriers to large-scale simulations of bacterial cell envelopes?
Journal: Current opinion in structural biology
Published: January 26, 2026
Small siphophage binding to an open state of the LptDE outer membrane lipopolysaccharide translocon.
Small siphophage binding to an open state of the LptDE outer membrane lipopolysaccharide translocon.
Journal: Proceedings of the National Academy of Sciences of the United States of America
Published: November 26, 2025
Meso-soup: A Community Approach to Building a Computational Description of the Biological Mesoscale.
Meso-soup: A Community Approach to Building a Computational Description of the Biological Mesoscale.
Journal: Biophysical journal
Published: October 30, 2025
Meso-Soup: A community approach to building a computational description of the biological mesoscale.
Meso-Soup: A community approach to building a computational description of the biological mesoscale.
Journal: Biophysical journal
Published: October 30, 2025
Assembly of two functionally-distinct protein import complexes in the outer membrane of plant chloroplasts.
Journal: Nature communications
Published: June 24, 2025
Polymyxins slow down lateral diffusion of proteins and lipopolysaccharide in the E. coli outer membrane.
Journal: Communications biology
Published: May 19, 2025
Atomistic modeling of lysophospholipids from the Campylobacter jejuni lipidome.
Journal: Biophysical journal
Published: May 06, 2025
The need to implement FAIR principles in biomolecular simulations.
Journal: Nature methods
Published: April 02, 2025
Following phospholipid transfer through the OmpF3-MlaA-MlaC lipid shuttle with native mass spectrometry.
Journal: Proceedings of the National Academy of Sciences of the United States of America
Published: April 01, 2025
Systematic Approach to Parametrization of Disaccharides for the Martini 3 Coarse-Grained Force Field.
Journal: Journal of chemical information and modeling
Published: January 17, 2025
Last Updated: 09/26/2026