Fiona Naughton
Fiona was a postdoc in the lab. Her research interests include free energy calculations, enhanced sampling methods and software development for MD. Her current project aims to use computational methods to characterise the structural and energetic underpinnings of bile acid transporters.
Fiona obtained a B.Sc, majoring in physics and biochemistry, from the University of Sydney and a DPhil in Biochemistry from the University of Oxford in Prof. Mark Sansom’s group, using multiscale MD simulations to investigate interactions of peripheral membrane proteins with membranes.
While not running simulations, Fiona enjoys baking and undertaking various art projects. She is also quite fond of cats, and can be found on twitter (@ExplainedByCats) posting about baking and science, often through tenuous cat puns and metaphors.
Publications
Irfan Alibay, Lily Wang, Fiona Naughton, Ian Kenney, Jonathan Barnoud, Richard J Gowers, and Oliver Beckstein. MDAKits: A framework for FAIR-compliant molecular simulation analysis . In Meghann Agarwal, Chris Calloway, and Dillon Niederhut, editors, Proceedings of the 22nd Python in Science Conference (SCIPY 2023), pages 76–84, Austin, TX, 2023. doi: 10.25080/gerudo-f2bc6f59-00a
Patrick Becker, Fiona B. Naughton, Deborah H. Brotherton, Raul Pacheco-Gomez, Oliver Beckstein, and Alexander D. Cameron. Mechanism of substrate binding and transport in BASS transporters . eLife, 12: RP89167, 2023. doi: 10.7554/eLife.89167.1
Oliver Beckstein and Fiona Naughton. General principles of secondary active transporter function. Biophysics Reviews, 3(1):011307, 2022. doi: :10.1063/5.0047967”:https://doi.org/10.1063/5.0047967
Naughton FB, Kalli AC, Sansom MSP (2018). Modes of interaction of Pleckstrin homology domains with membranes: towards a computational biochemistry of membrane recognition. J. Mol. Biol. 430: 372-388. doi: 10.1016/j.jmb.2017.12.011
Ni T, Kalli AC, Naughton FB, Yates LA, Naneh O, Kozorog M, Anderluh G, Sansom MSP, Gilbert RJ (2017). Structure and lipid-binding properties of the kindlin-3 pleckstrin homology domain. Biochem. J. 474: 539-556. doi: 10.1042/BCJ20160791
Naughton FB, Kalli AC, Sansom MSP (2016). Association of peripheral proteins with membranes: free energy of binding of GRP1 PH domain with phosphatidylinositol phosphate-containing model bilayers. J. Phys. Chem. Lett. 7: 1219-122. doi: 10.1021/acs.jpclett.6b00153
