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SBQT 2021

ISSN: 2965-5900
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Anais do Simpósio Brasileiro de Química Teórica
Proceedings of the XXI Brazilian Symposium on Theoretical Chemistry - Vol. 1 2021

ISSN: 2965-5900
  • English
  • Portuguese, Brazil
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Laboratory of Molecular Modeling and Drug Design (LabMol) / Faculty of Pharmacy / Federal University of Goiás

Melina Mottin

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Papers 1
  • Dock2ONIOM: Utilitário Python para Rescoring de Poses de Docking Molecular pelo Método ONIOM

    • Leonardo Viana das Chagas Lima 1
    • Melina Mottin 2
    • Carolina Andrade 3
    • nhmorgon 1
    • 1 Universidade Estadual de Campinas
    • 2 Laboratory of Molecular Modeling and Drug Design (LabMol) / Faculty of Pharmacy / Federal University of Goiás
    • 3 Universidade Federal de Goiás
    Vol 21, 2021 -
    141783
    Computational Chemistry
    Apresentação de Pôster / Poster Communications

Co-authors (3)

  • nhmorgon

    9 publications

  • Leonardo Viana das Chagas Lima

    1 publication

  • Carolina Andrade

    1 publication

Publications in other proceedings

  • 43ª RASBQ

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

  • BrazMedChem 2019

    Discovery of flavonoids from Pterogyne nitens with potent activity against Zika virus protease and helicase

  • BrazMedChem 2019

    Discovery of new Zika virus candidates: natural products from Angelica keiskei with activity against NS2B-NS3 protease

  • BrazMedChem 2019

    The Next Era of Pharmaceutical Research: From Bayesian Models to Deep Learning

  • BrazMedChem 2019

    Integrative Target Prediction, Molecular docking and Experimental Evaluation of the Antidepressant-like effects of Doxycycline

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