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Free Energy Perturbation Approach for Accurate Crystalline Aqueous Solubility Predictions.
Hong, Richard S; Rojas, Ana V; Bhardwaj, Rajni Miglani; Wang, Lingle; Mattei, Alessandra; Abraham, Nathan S; Cusack, Kevin P; Pierce, M Olivia; Mondal, Sayan; Mehio, Nada; Bordawekar, Shailendra; Kym, Philip R; Abel, Robert; Sheikh, Ahmad Y.
Afiliación
  • Hong RS; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States.
  • Rojas AV; Schrödinger Inc., 1540 Broadway 24th Floor, New York, New York 10036, United States.
  • Bhardwaj RM; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States.
  • Wang L; Schrödinger Inc., 1540 Broadway 24th Floor, New York, New York 10036, United States.
  • Mattei A; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States.
  • Abraham NS; Ventus Therapeutics 100 Beaver St, Waltham, Massachusetts 02453, United States.
  • Cusack KP; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States.
  • Pierce MO; Bristol Myer Squibb, 100 Binney Street, Cambridge, Massachusetts 02142, United States.
  • Mondal S; Schrödinger Inc., 1540 Broadway 24th Floor, New York, New York 10036, United States.
  • Mehio N; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States.
  • Bordawekar S; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States.
  • Kym PR; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States.
  • Abel R; Schrödinger Inc., 1540 Broadway 24th Floor, New York, New York 10036, United States.
  • Sheikh AY; AbbVie Inc., Research & Development, 1 N Waukegan Road, North Chicago, Illinois 60064, United States.
J Med Chem ; 66(23): 15883-15893, 2023 12 14.
Article en En | MEDLINE | ID: mdl-38016916
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Agua / Descubrimiento de Drogas Idioma: En Revista: J Med Chem Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Agua / Descubrimiento de Drogas Idioma: En Revista: J Med Chem Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos