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Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors.
Botelho, Fernanda D; Dos Santos, Marcelo C; Gonçalves, Arlan da S; Kuca, Kamil; Valis, Martin; LaPlante, Steven R; França, Tanos C C; de Almeida, Joyce S F D.
Afiliação
  • Botelho FD; Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Praca General Tiburcio 80, Rio de Janeiro 22290-270, Brazil.
  • Dos Santos MC; Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Praca General Tiburcio 80, Rio de Janeiro 22290-270, Brazil.
  • Gonçalves ADS; Federal Institute of Education, Science and Technology, Avenida Ministro Salgado Filho, 1000, Vila Velha 29106-010, Brazil.
  • Kuca K; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Rokitanskeho 62, 50003 Hradec Kralové, Czech Republic.
  • Valis M; Department of Neurology of the Medical Faculty of Charles University and University Hospital in Hradec Kralove, Sokolska 581, 50005 Hradec Kralove, Czech Republic.
  • LaPlante SR; INRS-Institut Armand-Frapier, 531 Boulevard des Prairies, Laval, QC H7V 1B7, Canada.
  • França TCC; Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Praca General Tiburcio 80, Rio de Janeiro 22290-270, Brazil.
  • de Almeida JSFD; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Rokitanskeho 62, 50003 Hradec Kralové, Czech Republic.
Toxins (Basel) ; 12(12)2020 11 26.
Article em En | MEDLINE | ID: mdl-33256167
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Ricina Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Revista: Toxins (Basel) Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Brasil País de publicação: Suíça
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Ricina Tipo de estudo: Diagnostic_studies / Screening_studies Idioma: En Revista: Toxins (Basel) Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Brasil País de publicação: Suíça