Publications
Using Generative Modeling to Endow with Potency Initially Inert Compounds with Good Bioavailability and Low Toxicity.
– Journal of Chemical Information and Modeling
(2024)
64,
590
(doi: 10.1021/acs.jcim.3c01777)
Bayesian Optimization in the Latent Space of a Variational Autoencoder for the Generation of Selective FLT3 Inhibitors.
– Journal of Chemical Theory and Computation
(2023)
20,
469
(doi: 10.1021/acs.jctc.3c01224)
Multiplexed Digital Characterization of Misfolded Protein Oligomers via Solid-State Nanopores
– Journal of the American Chemical Society
(2023)
145,
25776
(doi: 10.1021/jacs.3c09335)
Molecular mechanism of α-synuclein aggregation on lipid membranes revealed
(2023)
(doi: 10.1101/2023.10.20.563279)
Drug discovery for misfolding diseases using structure-based iterative learning
(2023)
(doi: 10.17863/CAM.106944)
Optimization of a small molecule inhibitor of secondary nucleation in α-synuclein aggregation.
– Frontiers in Molecular Biosciences
(2023)
10,
1155753
(doi: 10.3389/fmolb.2023.1155753)
Secondary Processes Dominate the Quiescent, Spontaneous Aggregation of α-Synuclein at Physiological pH with Sodium Salts.
– ACS Chemical Neuroscience
(2023)
14,
3125
(doi: 10.1021/acschemneuro.3c00282)
Multiplexed Digital Characterisation of Misfolded Protein Oligomers via Solid-State Nanopores
(2023)
(doi: 10.1101/2023.08.09.552642)
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