Matteo Aldeghi
14PUBLICATIONS
56CO-AUTHORS
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Publications (14)
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|Jul 30, 2025
Machine learning-assisted exploration of multidrug-drug administration regimens for organoid arrays.Ilya Yakavets, Sina Kheiri, Jennifer Cruickshank
|Mar 10, 2025
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding.Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi
|Oct 24, 2022
A graph representation of molecular ensembles for polymer property prediction.Matteo Aldeghi, Connor W Coley
|Sep 16, 2022
Roughness of Molecular Property Landscapes and Its Impact on Modellability.Matteo Aldeghi, David E Graff, Nathan Frey
|Aug 08, 2022
Self-Focusing Virtual Screening with Active Design Space Pruning.David E Graff, Matteo Aldeghi, Joseph A Morrone
|Nov 25, 2021
Golem: an algorithm for robust experiment and process optimization.Matteo Aldeghi, Florian Häse, Riley J Hickman
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Frequent Collaborators
4 joint publications
Vytautas Gapsys
3 joint publications
Bert L de Groot
3 joint publications
Connor W Coley
3 joint publications
Alán Aspuru-Guzik
2 joint publications
Gary Tresadern
2 joint publications
Philip C Biggin
2 joint publications
Joseph A Morrone
2 joint publications
Edward O Pyzer-Knapp
2 joint publications
John D Chodera
1 joint publications
Ai Woon Yee
