Ernest Awoonor-Williams

11PUBLICATIONS
17CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsMolecular targetsComputational chemistryGlycoconjugates
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Publications (11)

|Jul 03, 2026
Derisking Affinity Optimization for Macrocycles and Cyclic Peptides: High-Precision Free Energy Simulations across Five Diverse Targets.

|Jan 09, 2025
CovCysPredictor: Predicting Selective Covalently Modifiable Cysteines Using Protein Structure and Interpretable Machine Learning.

Bryn Marie Reimer, Ernest Awoonor-Williams, Andrei A Golosov

|Mar 19, 2024
Molecular Insights into the Impact of Mutations on the Binding Affinity of Targeted Covalent Inhibitors of BTK.

Ernest Awoonor-Williams, Abd Al-Aziz A Abu-Saleh

|Apr 03, 2023
Leveraging Advanced In Silico Techniques in Early Drug Discovery: A Study of Potent Small-Molecule YAP-TEAD PPI Disruptors.

Ernest Awoonor-Williams, Callum J Dickson, Pascal Furet

|Mar 30, 2023
Benchmarking In Silico Tools for Cysteine pKa Prediction.

Ernest Awoonor-Williams, Andrei A Golosov, Viktor Hornak

|Feb 27, 2023
Novel irreversible peptidic inhibitors of transglutaminase 2.

Nicholas J Cundy, Jane Arciszewski, Eric W J Gates

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Frequent Collaborators

3 joint publications

Viktor Hornak

2 joint publications

Christopher N Rowley

1 joint publications

Erin R Johnson

1 joint publications

Haibo Yu