Jonathan W Essex

37PUBLICATIONS
155CO-AUTHORS
Statistical mechanics in chemistryBiomolecular modelling and designApplied immunology (incl. antibody engineering, xenotransplantation and t-cell therapies)Structural biology (incl. macromolecular modelling)Structural properties of condensed matter
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Publications (37)

|Jul 23, 2026
Fully Automatable Relative Binding Free Energy Calculations with Enhanced Sampling Using FAST/MBAR.

|Jul 04, 2025
Accelerating fragment-based drug discovery using grand canonical nonequilibrium candidate Monte Carlo.

William G Poole, Marley L Samways, Davide Branduardi

|Apr 12, 2025
Structure-guided disulfide engineering restricts antibody conformation to elicit TNFR agonism.

Isabel G Elliott, Hayden Fisher, H T Claude Chan

|Apr 02, 2025
The need to implement FAIR principles in biomolecular simulations.

Rommie E Amaro, Johan Åqvist, Ivet Bahar

|Jan 28, 2025
How well do empirical molecular mechanics force fields model the cholesterol condensing effect?

J Sawdon, T J Piggot, J W Essex

|Jan 08, 2025
A partition function estimator.

Ying-Chih Chiang, Frank Otto, Jonathan W Essex

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Frequent Collaborators

6 joint publications

Marley L Samways

5 joint publications

Chris-Kriton Skylaris

5 joint publications

Michael S Bodnarchuk

4 joint publications

Hayden Fisher