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Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis.
Nand, Mahesha; Maiti, Priyanka; Joshi, Tushar; Chandra, Subhash; Pande, Veena; Kuniyal, Jagdish Chandra; Ramakrishnan, Muthannan Andavar.
Afiliación
  • Nand M; Environmental Information System on Himalayan Ecology, G.B. Pant National Institute of Himalayan Environment, Kosi-Katarmal, Almora, Uttarakhand, 263 643, India.
  • Maiti P; Centre for Environmental Assessment and Climate Change, G.B. Pant National Institute of Himalayan Environment, Kosi-Katarmal, Almora, Uttarakhand, 263 643, India. priyankamaiti.06@gmail.com.
  • Joshi T; Department of Biotechnology, Kumaun University, Bhimtal Campus, Bhimtal, Uttarakhand, 263 136, India.
  • Chandra S; Department of Botany, Kumaun University, S.S.J. Campus, Almora, Uttarakhand, 263 601, India. scjnu@yahoo.co.in.
  • Pande V; Department of Biotechnology, Kumaun University, Bhimtal Campus, Bhimtal, Uttarakhand, 263 136, India.
  • Kuniyal JC; Centre for Environmental Assessment and Climate Change, G.B. Pant National Institute of Himalayan Environment, Kosi-Katarmal, Almora, Uttarakhand, 263 643, India.
  • Ramakrishnan MA; ICAR-Indian Veterinary Research Institute, Bengaluru, Karnataka, 560 024, India. maramakrishnan@gmail.com.
Sci Rep ; 10(1): 20397, 2020 11 23.
Article en En | MEDLINE | ID: mdl-33230180
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Antivirales / Inhibidores de Proteasas / VIH-1 / Fármacos Anti-VIH / Simulación de Dinámica Molecular / Reposicionamiento de Medicamentos / Aprendizaje Profundo / Quimioinformática / SARS-CoV-2 / Tratamiento Farmacológico de COVID-19 Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Sci Rep Año: 2020 Tipo del documento: Article País de afiliación: India
Texto completo
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Antivirales / Inhibidores de Proteasas / VIH-1 / Fármacos Anti-VIH / Simulación de Dinámica Molecular / Reposicionamiento de Medicamentos / Aprendizaje Profundo / Quimioinformática / SARS-CoV-2 / Tratamiento Farmacológico de COVID-19 Tipo de estudio: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: Sci Rep Año: 2020 Tipo del documento: Article País de afiliación: India