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Centre for Misfolding Diseases


Discovery of potent inhibitors of α-synuclein aggregation using structure-based iterative learning
RI Horne, EA Andrzejewska, P Alam, ZF Brotzakis, A Srivastava, A Aubert, M Nowinska, RC Gregory, R Staats, A Possenti, S Chia, P Sormanni, B Ghetti, B Caughey, TPJ Knowles, M Vendruscolo
– Nature chemical biology
Sequence-Based Drug Design Using Transformers
M Vendruscolo, S Zhang, D Huo, R Horne, Y Qi, SP Ojeda, A Yan
Using Generative Modeling to Endow with Potency Initially Inert Compounds with Good Bioavailability and Low Toxicity.
RI Horne, J Wilson-Godber, A González Díaz, ZF Brotzakis, S Seal, RC Gregory, A Possenti, S Chia, M Vendruscolo
– Journal of Chemical Information and Modeling
Bayesian Optimization in the Latent Space of a Variational Autoencoder for the Generation of Selective FLT3 Inhibitors
R Chandra, RI Horne, M Vendruscolo
– Journal of chemical theory and computation
Sequence-based drug design using transformers
S Zhang, D Huo, R Horne, Y Qi, SP Ojeda, A Yan, M Vendruscolo
Multiplexed Digital Characterization of Misfolded Protein Oligomers via Solid-State Nanopores.
SE Sandler, RI Horne, S Rocchetti, R Novak, N-S Hsu, M Castellana Cruz, Z Faidon Brotzakis, RC Gregory, S Chia, GJL Bernardes, UF Keyser, M Vendruscolo
– J Am Chem Soc
Molecular mechanism of α-synuclein aggregation on lipid membranes revealed
A Dear, X Teng, S Ball, J Lewin, R Horne, D Clow, N Harper, K Yahya, TCT Michaels, S Linse, T Knowles, X Yang, S Brewerton, J Thomson, J Habchi, G Meisl
Drug discovery for misfolding diseases using structure-based iterative learning
R Horne
Optimization of a small molecule inhibitor of secondary nucleation in α-synuclein aggregation.
R Staats, ZF Brotzakis, S Chia, RI Horne, M Vendruscolo
– Frontiers in Molecular Biosciences
Secondary Processes Dominate the Quiescent, Spontaneous Aggregation of α‑Synuclein at Physiological pH with Sodium Salts
RI Horne, MA Metrick, W Man, DJ Rinauro, ZF Brotzakis, S Chia, G Meisl, M Vendruscolo
– ACS chemical neuroscience
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