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Hugo MacDermott-Opeskin
Hugo MacDermott-Opeskin
Software Scientist, ASAP Discovery
Verified email at anu.edu.au
Title
Cited by
Cited by
Year
Pore structure controls stability and molecular flux in engineered protein cages
LSR Adamson, N Tasneem, MP Andreas, W Close, EN Jenner, ...
Science Advances 8 (5), eabl7346, 2022
262022
The structural basis of bacterial manganese import
SL Neville, J Sjöhamn, JA Watts, H MacDermott-Opeskin, SJ Fairweather, ...
Science Advances 7 (32), eabg3980, 2021
202021
Heteroleptic tripalladium (II) cages
JA Findlay, KM Patil, MG Gardiner, HI MacDermott‐Opeskin, ML O'Mara, ...
Chemistry–An Asian Journal 17 (6), e202200093, 2022
192022
Understanding the link between lipid diversity and the biophysical properties of the neuronal plasma membrane
KA Wilson, HI MacDermott-Opeskin, E Riley, Y Lin, ML O’Mara
Biochemistry 59 (33), 3010-3018, 2020
192020
Comparing nonbonded metal ion models in the divalent cation binding protein PsaA
H MacDermott-Opeskin, CA McDevitt, ML O’Mara
Journal of Chemical Theory and Computation 16 (3), 1913-1923, 2020
182020
Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter
T Rawling, H MacDermott-Opeskin, A Roseblade, C Pazderka, C Clarke, ...
Chemical Science 11 (47), 12677-12685, 2020
172020
Lipid-mediated antimicrobial resistance: a phantom menace or a new hope?
HI MacDermott-Opeskin, V Gupta, ML O’Mara
Biophysical Reviews 14 (1), 145-162, 2022
132022
The membrane composition defines the spatial organization and function of a major Acinetobacter baumannii drug efflux system
M Zang, H MacDermott-Opeskin, FG Adams, V Naidu, JK Waters, ...
MBio 12 (3), 10.1128/mbio. 01070-21, 2021
132021
The role of plasmalogens, Forssman lipids, and sphingolipid hydroxylation in modulating the biophysical properties of the epithelial plasma membrane
KA Wilson, SJ Fairweather, HI MacDermott-Opeskin, L Wang, RA Morris, ...
The Journal of Chemical Physics 154 (9), 2021
132021
MDAnalysis 2.0 and beyond: fast and interoperable, community driven simulation analysis
FB Naughton, I Alibay, J Barnoud, E Barreto-Ojeda, O Beckstein, ...
Biophysical Journal 121 (3), 272a-273a, 2022
102022
The Fats of Life: Using computational chemistry to characterise the eukaryotic cell membrane
KA Wilson, L Wang, H MacDermott-Opeskin, ML O’Mara
Australian Journal of Chemistry 73 (3), 85-95, 2019
82019
Hydroxy groups enhance [2] rotaxane anion binding selectivity
RJ Goodwin, A Docker, HI MacDermott‐Opeskin, HM Aitken, ML O'Mara, ...
Chemistry–A European Journal 28 (28), e202200389, 2022
72022
Espaloma-0.3. 0: Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond
K Takaba, I Pulido, M Henry, H MacDermott-Opeskin, JD Chodera, ...
arXiv preprint arXiv:2307.07085, 2023
32023
Dynamics of the Acinetobacter baumannii inner membrane under exogenous polyunsaturated fatty acid stress
HI MacDermott-Opeskin, A Panizza, BA Eijkelkamp, ML O'Mara
Biochimica et Biophysica Acta (BBA)-Biomembranes 1864 (7), 183908, 2022
32022
Polyunsaturated lipids promote membrane phase separation and antimicrobial sensitivity
H MacDermott-Opeskin, KA Wilson, B Eijkelkamp, ML O'Mara
Biophysical journal 122 (3), 322a-323a, 2023
12023
Protonophoric and mitochondrial uncoupling activity of aryl-carbamate substituted fatty acids
H MacDermott-Opeskin, C Clarke, X Wu, A Roseblade, E York, E Pacchini, ...
Organic & Biomolecular Chemistry 21 (1), 132-139, 2023
12023
Lipidome modifications in A. baumannii alter membrane properties and antimicrobial peptide interactions
ML O'Mara, H MacDermott-Opeskin, KA Wilson
Biophysical Journal 123 (3), 455a, 2024
2024
SolvationAnalysis: A Python toolkit for understanding liquid solvation structure in classical molecular dynamics simulations
OA Cohen, H Macdermott-Opeskin, L Lee, T Hou, KD Fong, R Kingsbury, ...
Journal of Open Source Software 8 (84), 5183, 2023
2023
The Impact of Antimicrobial Peptides on the Acinetobacter baumannii Inner Membrane Is Modulated by Lipid Polyunsaturation
HI MacDermott-Opeskin, KA Wilson, ML O’Mara
ACS Infectious Diseases 9 (4), 815-826, 2023
2023
Building a community-driven ecosystem for fast, reproducible, and reusable molecular simulation analysis using mdanalysis
I Alibay, J Barnoud, O Beckstein, RJ Gowers, PR Loche, ...
Biophysical journal 122 (3), 420a, 2023
2023
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