Author
University of Toronto
Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.
Mutual co-authors in cluster
6 papers
Recent·Most cited
Fuqiang Ban, Rahul Ravichandran, G.J. Correy…·Francesco Gentile
The paper uses machine learning-augmented virtual screening to discover a novel series of Mac1 inhibitors for SARS-CoV-2 NSP3, validated by experimental assays and crystallography.
Xiaoyun Wang, Jianxian Sun, Shabbir Ahmad…·Levon Halabelian
This study introduces E-ASMS, a method to detect weak binders and assess enantioselectivity, identifying 16 binders across 12 human protein targets with confirmed binding mechanisms.
Rocher Leung, Esther Wolf, Justin C. Deme…·Rachel Harding
The paper identifies a small molecule ligand for the HTT-HAP40 complex using AS-MS and validates its binding through multiple techniques, highlighting a druggable interface for HD therapeutics.
Fengling Li, Suzanne Z. Ackloo, C. H. Arrowsmith…·Matthieu Schapira
The paper evaluates computational hit-finding methods for targeting the WDR domain of LRRK2, a Parkinson's disease protein, finding that diverse strategies yielded weakly potent compounds.
Suzanne Z. Ackloo, Fengling Li, Magda Szewczyk…·C. H. Arrowsmith
The paper develops a resource for discovering ligands for WDR proteins using experimental and computational methods, leading to the identification of drug-like ligands for 9 out of 20 targets.
Shabbir Ahmad, Jin Bao Xu, Jianwen A. Feng…·Levon Halabelian
The paper identifies a first-in-class small molecule ligand for WDR91 using DNA-encoded chemical library selection and machine learning, leading to the discovery of covalent analogs and structural insights.