Hugo MacDermott-Opeskin

11PUBLICATIONS
51CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsMathematical aspects of general relativityMedical infection agents (incl. prions)Reaction engineering (excl. nuclear reactions)
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Publications (11)

|Oct 03, 2025
How many crystal structures do you need to trust your docking results?

Alexander Matthew Payne, Benjamin Kaminow, Hugo MacDermott-Opeskin

|Aug 06, 2025
A Structure-Based Computational Pipeline for Broad-Spectrum Antiviral Discovery.

Maria A Castellanos, Alexander M Payne, Jenke Scheen

|Aug 16, 2024
Machine-learned molecular mechanics force fields from large-scale quantum chemical data.

Kenichiro Takaba, Anika J Friedman, Chapin E Cavender

|Mar 15, 2023
The Impact of Antimicrobial Peptides on the Acinetobacter baumannii Inner Membrane Is Modulated by Lipid Polyunsaturation.

Hugo I MacDermott-Opeskin, Katie A Wilson, Megan L O'Mara

|Dec 01, 2022
Protonophoric and mitochondrial uncoupling activity of aryl-carbamate substituted fatty acids.

Hugo MacDermott-Opeskin, Callum Clarke, Xin Wu

|Mar 16, 2022
Hydroxy Groups Enhance [2]Rotaxane Anion Binding Selectivity.

Rosemary J Goodwin, Andrew Docker, Hugo I MacDermott-Opeskin

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Frequent Collaborators

6 joint publications

Megan L O'Mara

3 joint publications

Alexander Matthew Payne

3 joint publications

John D Chodera

3 joint publications

Iván Pulido