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Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation (2020)

• Authors:
  • Sousa, Bruna K. P.
  • Mottin, Melina
  • Bernatchez, Jean
  • Mesquita, Nathalya Cristina de Moraes Roso
  • Zhu, Zhe
  • Rich, Jeremy
  • Clark, Alex E.
  • Zorn, Kimberley M.
  • Foil, Daniel
  • Sartori, Geraldo R.
  • Albuquerque, Aline O.
  • Silva, João H. M. da
  • Neves, Bruno J.
  • Muratov, Eugene
  • Oliva, Glaucius
  • Siqueira Neto, Jair
  • Ekins, Sean
  • Andrade, Carolina Horta
• USP affiliated authors: OLIVA, GLAUCIUS - IFSC ; MESQUITA, NATHALYA CRISTINA DE MORAES ROSO - IFSC
• Unidade: IFSC
• Subjects: ZIKA VÍRUS; PRODUTOS NATURAIS; ENZIMAS
• Keywords: Drug discovery; NS3 protease; Virtual screening
• Agências de fomento:
  • Financiado pelo CNPq
  • Financiado pela CAPES
  • Financiado pela FAPEG
  • Financiado pela FAPESP
  • Financiado pela IBM
• Language: Inglês
• Imprenta:
  • Publisher: Galoá
  • Publisher place: Campinas
  • Date published: 2020
• Source:
  • Título: Anais
• Conference titles: Reunião Anual Virtual da Sociedade Brasileira de Química - RASBQ


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How to cite

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• ABNT

  SOUSA, Bruna K. P. et al. Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation. 2020, Anais.. Campinas: Galoá, 2020. Disponível em: https://proceedings.science/rasbq-2020/papers/discovery-of-novel-zika-virus-ns3-protein-inhibitors-through-the-integration-of-docking--machine-learning-models-and-exp. Acesso em: 28 dez. 2025.

• APA

  Sousa, B. K. P., Mottin, M., Bernatchez, J., Mesquita, N. C. de M. R., Zhu, Z., Rich, J., et al. (2020). Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation. In Anais. Campinas: Galoá. Recuperado de https://proceedings.science/rasbq-2020/papers/discovery-of-novel-zika-virus-ns3-protein-inhibitors-through-the-integration-of-docking--machine-learning-models-and-exp

• NLM

  Sousa BKP, Mottin M, Bernatchez J, Mesquita NC de MR, Zhu Z, Rich J, Clark AE, Zorn KM, Foil D, Sartori GR, Albuquerque AO, Silva JHM da, Neves BJ, Muratov E, Oliva G, Siqueira Neto J, Ekins S, Andrade CH. Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation [Internet]. Anais. 2020 ;[citado 2025 dez. 28 ] Available from: https://proceedings.science/rasbq-2020/papers/discovery-of-novel-zika-virus-ns3-protein-inhibitors-through-the-integration-of-docking--machine-learning-models-and-exp

• Vancouver

  Sousa BKP, Mottin M, Bernatchez J, Mesquita NC de MR, Zhu Z, Rich J, Clark AE, Zorn KM, Foil D, Sartori GR, Albuquerque AO, Silva JHM da, Neves BJ, Muratov E, Oliva G, Siqueira Neto J, Ekins S, Andrade CH. Discovery of novel Zika virus NS3 protein inhibitors through the integration of docking, machine learning models and experimental evaluation [Internet]. Anais. 2020 ;[citado 2025 dez. 28 ] Available from: https://proceedings.science/rasbq-2020/papers/discovery-of-novel-zika-virus-ns3-protein-inhibitors-through-the-integration-of-docking--machine-learning-models-and-exp

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