Alexander Trospsha

50PUBLICATIONS
159CO-AUTHORS
Medical infection agents (incl. prions)Characterisation of biological macromoleculesCheminformatics and quantitative structure-activity relationshipsPharmacology and pharmaceutical sciences not elsewhere classifiedEvolutionary computation
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Publications (50)

|Jul 17, 2026
AI-Driven Discovery and BSL-4 Validation of Cross-Filovirus Ebola-Marburg Inhibitors and their Synergistic Combinations.

|May 20, 2026
Structure-dependent incorporation of terpenes into amphiphilic Poly(2-oxazoline) micelles.

|Jan 21, 2026
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

Oleksandra Herasymenko, Madhushika Silva, Galen J Correy

|Dec 12, 2025
Medicines, Diseases, Indications, and Contraindications (MeDIC): a foundational resource to support drug repurposing.

Marcello DeLuca, Nico Matentzoglu, Elliott Sharp

|Oct 06, 2025
Enabling Open Machine Learning of Deoxyribonucleic Acid-Encoded Library Selections to Accelerate the Discovery of Small Molecule Protein Binders.

James Wellnitz, Shabbir Ahmad, Nabin Bagale

|Apr 29, 2025
AI-driven discovery of synergistic drug combinations against pancreatic cancer.

Mohsen Pourmousa, Sankalp Jain, Elena Barnaeva

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Frequent Collaborators

23 joint publications

Eugene N Muratov

9 joint publications

Vinicius M Alves

7 joint publications

Alexey V Zakharov

6 joint publications

James Wellnitz