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Application of Free Energy Perturbation for the Design of BACE1 Inhibitors.
Ciordia, Myriam; Pérez-Benito, Laura; Delgado, Francisca; Trabanco, Andrés A; Tresadern, Gary.
Affiliation
  • Ciordia M; Janssen Research and Development , c/Jarama 75A, 45007 Toledo, Spain.
  • Pérez-Benito L; Departamento de Química y Bioquímica, Facultad de Farmacia, Universidad CEU San Pablo , Urbanización Montepríncipe Ctra., Boadilla del Monte Km 5.3, 28668 Madrid, Spain.
  • Delgado F; Janssen Research and Development , c/Jarama 75A, 45007 Toledo, Spain.
  • Trabanco AA; Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona , 08193 Bellaterra, Spain.
  • Tresadern G; Janssen Research and Development , c/Jarama 75A, 45007 Toledo, Spain.
J Chem Inf Model ; 56(9): 1856-71, 2016 09 26.
Article in En | MEDLINE | ID: mdl-27500414
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protease Inhibitors / Drug Design / Amyloid Precursor Protein Secretases Type of study: Prognostic_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2016 Document type: Article Affiliation country: Spain Country of publication: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protease Inhibitors / Drug Design / Amyloid Precursor Protein Secretases Type of study: Prognostic_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2016 Document type: Article Affiliation country: Spain Country of publication: United States