Hydroxy Groups Enhance [2]Rotaxane Anion Binding Selectivity von Goodwin, Rosemary J., Docker, Andrew, MacDermott‐Opeskin, Hugo I., Aitken, Heather M., O'Mara, Megan L., Beer, Paul D., White, Nicholas G.

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Heteroleptic Tripalladium(II) Cages von Findlay, James A., Patil, Komal M., Gardiner, Michael G., MacDermott‐Opeskin, Hugo I., O'Mara, Megan L., Kruger, Paul E., Preston, Dan

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Dynamics of the Acinetobacter baumannii inner membrane under exogenous polyunsaturated fatty acid stress von MacDermott-Opeskin, Hugo I., Panizza, Alessandra, Eijkelkamp, Bart A., O'Mara, Megan L.

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Understanding the Link between Lipid Diversity and the Biophysical Properties of the Neuronal Plasma Membrane von Wilson, Katie A, MacDermott-Opeskin, Hugo I, Riley, Eden, Lin, Yiechang, O’Mara, Megan L

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The role of plasmalogens, Forssman lipids, and sphingolipid hydroxylation in modulating the biophysical properties of the epithelial plasma membrane von Wilson, Katie A., Fairweather, Stephen J., MacDermott-Opeskin, Hugo I., Wang, Lily, Morris, Richard A., O’Mara, Megan L.

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Lipid-mediated antimicrobial resistance: a phantom menace or a new hope? von MacDermott-Opeskin, Hugo I., Gupta, Vrinda, O’Mara, Megan L.

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Pore structure controls stability and molecular flux in engineered protein cages von Adamson, Lachlan S R, Tasneem, Nuren, Andreas, Michael P, Close, William, Jenner, Eric N, Szyszka, Taylor N, Young, Reginald, Cheah, Li Chen, Norman, Alexander, MacDermott-Opeskin, Hugo I, O'Mara, Megan L, Sainsbury, Frank, Giessen, Tobias W, Lau, Yu Heng

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Comparing Nonbonded Metal Ion Models in the Divalent Cation Binding Protein PsaA von MacDermott-Opeskin, Hugo, McDevitt, Christopher A, O’Mara, Megan L

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The Impact of Antimicrobial Peptides on the Acinetobacter baumannii Inner Membrane Is Modulated by Lipid Polyunsaturation von MacDermott-Opeskin, Hugo I., Wilson, Katie A., O’Mara, Megan L.

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The Membrane Composition Defines the Spatial Organization and Function of a Major Acinetobacter baumannii Drug Efflux System von Zang, Maoge, MacDermott-Opeskin, Hugo, Adams, Felise G, Naidu, Varsha, Waters, Jack K, Carey, Ashley B, Ashenden, Alex, McLean, Kimberley T, Brazel, Erin B, Jiang, Jhih-Hang, Panizza, Alessandra, Trappetti, Claudia, Paton, James C, Peleg, Anton Y, Köper, Ingo, Paulsen, Ian T, Hassan, Karl A, O’Mara, Megan L, Eijkelkamp, Bart A

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Lipidome modifications in A. baumannii alter membrane properties and antimicrobial peptide interactions von O'Mara, Megan L., MacDermott-Opeskin, Hugo, Wilson, Katie A.

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Polyunsaturated lipids promote membrane phase separation and antimicrobial sensitivity von MacDermott-Opeskin, Hugo, Wilson, Katie A., Eijkelkamp, Bart, O'Mara, Megan L.

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Hydroxy Groups Enhance 2Rotaxane Anion Binding Selectivity von Goodwin, Rosemary J, Docker, Andrew, MacDermott-Opeskin, Hugo I, Aitken, Heather M, O'Mara, Megan L, Beer, Paul D, White, Nicholas G

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Building a community-driven ecosystem for fast, reproducible, and reusable molecular simulation analysis using mdanalysis von Alibay, Irfan, Barnoud, Jonathan, Beckstein, Oliver, Gowers, Richard J., Loche, Philip R., MacDermott-Opeskin, Hugo, Matta, Micaela, Naughton, Fiona B., Reddy, Tyler, Wang, Lily

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Protonophoric and mitochondrial uncoupling activity of aryl-carbamate substituted fatty acids von MacDermott-Opeskin, Hugo, Clarke, Callum, Wu, Xin, Roseblade, Ariane, York, Edward, Pacchini, Ethan, Roy, Ritik, Cranfield, Charles, Gale, Philip A, O'Mara, Megan L, Murray, Michael, Rawling, Tristan

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Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter von Rawling, Tristan, MacDermott-Opeskin, Hugo, Roseblade, Ariane, Pazderka, Curtis, Clarke, Callum, Bourget, Kirsi, Wu, Xin, Lewis, William, Noble, Benjamin, Gale, Philip A, O'Mara, Megan L, Cranfield, Charles, Murray, Michael

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Machine-learned molecular mechanics force fields from large-scale quantum chemical data von Takaba, Kenichiro, Friedman, Anika J, Cavender, Chapin E, Behara, Pavan Kumar, Pulido, Iván, Henry, Michael M, MacDermott-Opeskin, Hugo, Iacovella, Christopher R, Nagle, Arnav M, Payne, Alexander Matthew, Shirts, Michael R, Mobley, David L, Chodera, John D, Wang, Yuanqing

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MDAnalysis 2.0 and beyond: fast and interoperable, community driven simulation analysis von Naughton, Fiona B., Alibay, Irfan, Barnoud, Jonathan, Barreto-Ojeda, Estefania, Beckstein, Oliver, Bouysset, Cédric, Cohen, Orion, Gowers, Richard J., MacDermott-Opeskin, Hugo, Matta, Micaela, Melo, Manuel N., Reddy, Tyler, Wang, Lily, Zhuang, Yuxuan

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Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond von Takaba, Kenichiro, Pulido, Iván, Behara, Pavan Kumar, Cavender, Chapin E, Friedman, Anika J, Henry, Michael M, Hugo MacDermott Opeskin, Iacovella, Christopher R, Nagle, Arnav M, Payne, Alexander Matthew, Shirts, Michael R, Mobley, David L, Chodera, John D, Wang, Yuanqing

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SolvationAnalysis: A Python toolkit for understanding liquid solvation structure in classical molecular dynamics simulations von Cohen, Orion Archer, Macdermott-Opeskin, Hugo, Lee, Lauren, Hou, Tingzheng, Fong, Kara D., Kingsbury, Ryan, Wang, Jingyang, Persson, Kristin A.

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