Maria A Castellanos

4PUBLICATIONS
21CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsMolecular and organic electronicsCircuits and systems
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Publications (4)

|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

|Nov 25, 2022
Activating charge-transfer state formation in strongly-coupled dimers using DNA scaffolds.

Stephanie M Hart, James L Banal, Maria A Castellanos

|Jan 22, 2020
On the design of molecular excitonic circuits for quantum computing: the universal quantum gates.

Maria A Castellanos, Amro Dodin, Adam P Willard

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