Conformational Changes in Talin on Binding to Anionic Phospholipid Membranes Facilitate Signaling by Integrin Transmembrane Helices. - Antreas C. Kalli; Iain D. Campbell; Mark S. P. Sansom (PLoS Comput. Biol., 2013)

Molecular Dynamics Simulations of the Bacterial UraA H+-Uracil Symporter in Lipid Bilayers Reveal a Closed State and a Selective Interaction with Cardiolipin. - Antreas C. Kalli; Mark S. P. Sansom; Reinhart A. F. Reithmeier (PLoS Comput. Biol., 2015)

Multiscale Simulations Suggest a Mechanism for the Association of the Dok7 PH Domain with PIP-Containing Membranes. - Amanda Buyan; Antreas C. Kalli; Mark S. P. Sansom (PLoS Comput. Biol., 2016)

Interaction of the human erythrocyte Band 3 anion exchanger 1 (AE1, SLC4A1) with lipids and glycophorin A: Molecular organization of the Wright (Wr) blood group antigen. - Antreas C. Kalli; Reinhart A. F. Reithmeier (PLoS Comput. Biol., 2018)

Multi-scale simulations of the T cell receptor reveal its lipid interactions, dynamics and the arrangement of its cytoplasmic region. - Dheeraj Prakaash; Graham P. Cook; Oreste Acuto; Antreas C. Kalli (PLoS Comput. Biol., 2021)

mPPases create a conserved anionic membrane fingerprint as identified via multi-scale simulations. - Alexandra O. M. Holmes; Adrian Goldman; Antreas C. Kalli (PLoS Comput. Biol., 2022)