Structure-based virtual screening, molecular dynamics and binding free energy calculations of hit candidates as ALK-5 inhibitors (2020)
- Authors:
- USP affiliated authors: ANDRICOPULO, ADRIANO DEFINI - IFSC ; HONORIO, KÁTHIA MARIA - EACH ; ALMEIDA, MICHELL DE OLIVEIRA - IQSC ; FERREIRA, LEONARDO LUIZ GOMES - IFSC
- Unidades: IFSC; EACH; IQSC
- DOI: 10.3390/molecules25020264
- Subjects: LIPÍDEOS; FOTORRECEPTORES; PEROXIDASE
- Keywords: Cancer; ALK-5; SBVS; Molecular dynamics; Binding free energy calculations
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Status:
- Artigo publicado em periódico de acesso aberto (Gold Open Access)
- Versão do Documento:
- Versão publicada (Published version)
- Acessar versão aberta:
-
ABNT
ARAUJO, Sheila C. et al. Structure-based virtual screening, molecular dynamics and binding free energy calculations of hit candidates as ALK-5 inhibitors. Molecules, v. 25, n. Ja 2020, p. 264-1-264-14, 2020Tradução . . Disponível em: https://doi.org/10.3390/molecules25020264. Acesso em: 08 abr. 2026. -
APA
Araujo, S. C., Maltarollo, V. G., Almeida, M. de O., Ferreira, L. L. G., Andricopulo, A. D., & Honorio, K. M. (2020). Structure-based virtual screening, molecular dynamics and binding free energy calculations of hit candidates as ALK-5 inhibitors. Molecules, 25( Ja 2020), 264-1-264-14. doi:10.3390/molecules25020264 -
NLM
Araujo SC, Maltarollo VG, Almeida M de O, Ferreira LLG, Andricopulo AD, Honorio KM. Structure-based virtual screening, molecular dynamics and binding free energy calculations of hit candidates as ALK-5 inhibitors [Internet]. Molecules. 2020 ; 25( Ja 2020): 264-1-264-14.[citado 2026 abr. 08 ] Available from: https://doi.org/10.3390/molecules25020264 -
Vancouver
Araujo SC, Maltarollo VG, Almeida M de O, Ferreira LLG, Andricopulo AD, Honorio KM. Structure-based virtual screening, molecular dynamics and binding free energy calculations of hit candidates as ALK-5 inhibitors [Internet]. Molecules. 2020 ; 25( Ja 2020): 264-1-264-14.[citado 2026 abr. 08 ] Available from: https://doi.org/10.3390/molecules25020264 - An electronic point of view on the inhibition of ALK‑5 by bioactive candidates related to cancer
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