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Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α-Synuclein Secondary Nucleation.
Horne, Robert I; Murtada, Mhd Hussein; Huo, Donghui; Brotzakis, Z Faidon; Gregory, Rebecca C; Possenti, Andrea; Chia, Sean; Vendruscolo, Michele.
Afiliación
  • Horne RI; Centre for Misfolding Diseases, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
  • Murtada MH; Centre for Misfolding Diseases, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
  • Huo D; Centre for Misfolding Diseases, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
  • Brotzakis ZF; College of Life Science and Technology, Beijing University of Chemical Technology, Beijing 100029, China.
  • Gregory RC; Centre for Misfolding Diseases, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
  • Possenti A; Centre for Misfolding Diseases, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
  • Chia S; Centre for Misfolding Diseases, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
  • Vendruscolo M; Centre for Misfolding Diseases, Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom.
J Chem Theory Comput ; 19(14): 4701-4710, 2023 Jul 25.
Article en En | MEDLINE | ID: mdl-36939645
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Enfermedad de Parkinson / Alfa-Sinucleína Límite: Humans Idioma: En Revista: J Chem Theory Comput Año: 2023 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Enfermedad de Parkinson / Alfa-Sinucleína Límite: Humans Idioma: En Revista: J Chem Theory Comput Año: 2023 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos