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De novo generation of dual-target ligands for the treatment of SARS-CoV-2 using deep learning, virtual screening, and molecular dynamic simulations.
Humayun, Fahad; Khan, Fatima; Khan, Abbas; Alshammari, Abdulrahman; Ji, Jun; Farhan, Ali; Fawad, Nasim; Alam, Waheed; Ali, Arif; Wei, Dong-Qing.
Afiliación
  • Humayun F; Department of Bioinformatics and Biological Statistics, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, PR China.
  • Khan F; State Key Laboratory of Microbial Metabolism and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, PR China.
  • Khan A; National Institute of Health, Islamabad, Pakistan.
  • Alshammari A; Department of Bioinformatics and Biological Statistics, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, PR China.
  • Ji J; State Key Laboratory of Microbial Metabolism and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, PR China.
  • Farhan A; Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.
  • Fawad N; Henan Provincial Engineering and Technology Center of Health Products for Livestock and Poultry, Henan Provincial Engineering and Technology Center of Animal Disease Diagnosis and Integrated Control, Nanyang Normal University, Nanyang, PR China.
  • Alam W; Department of Chemistry, Chung Yuan Christian University, Taoyuan, Taiwan.
  • Ali A; Poultry Research Institute, Rawalpindi, Pakistan.
  • Wei DQ; National Institute of Health, Islamabad, Pakistan.
J Biomol Struct Dyn ; 42(6): 3019-3029, 2024 Apr.
Article en En | MEDLINE | ID: mdl-37449757
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Texto completo: 1 Base de datos: MEDLINE Asunto principal: Aprendizaje Profundo / COVID-19 Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: J Biomol Struct Dyn Año: 2024 Tipo del documento: Article
Texto completo
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PubMed Links
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Texto completo: 1 Base de datos: MEDLINE Asunto principal: Aprendizaje Profundo / COVID-19 Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: J Biomol Struct Dyn Año: 2024 Tipo del documento: Article