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Acylguanidine Beta Secretase 1 Inhibitors: A Combined Experimental and Free Energy Perturbation Study.
Keränen, Henrik; Pérez-Benito, Laura; Ciordia, Myriam; Delgado, Francisca; Steinbrecher, Thomas B; Oehlrich, Daniel; van Vlijmen, Herman W T; Trabanco, Andrés A; Tresadern, Gary.
Affiliation
  • Keränen H; Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V. , Turnhoutseweg 30, B-2340 Beerse, Belgium.
  • Pérez-Benito L; Laboratori de Medicina Computacional Unitat de Bioestadistica, Facultat de Medicina, Universitat Autonoma de Barcelona , 08193, Bellaterra, Spain.
  • Ciordia M; Computational Chemistry, Janssen Research and Development, Janssen-Cilag , c/ Jarama 75A, 45007, Toledo, Spain.
  • Delgado F; Neuroscience Medicinal Chemistry, Janssen Research and Development, Janssen-Cilag , c/ Jarama 75A, 45007, Toledo, Spain.
  • Steinbrecher TB; Neuroscience Medicinal Chemistry, Janssen Research and Development, Janssen-Cilag , c/ Jarama 75A, 45007, Toledo, Spain.
  • Oehlrich D; Schrödinger GmbH , Dynamostrasse 13, 68165 Mannheim, Baden-Württemberg, Germany.
  • van Vlijmen HW; Neuroscience Medicinal Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V. , Turnhoutseweg 30, B-2340 Beerse, Belgium.
  • Trabanco AA; Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V. , Turnhoutseweg 30, B-2340 Beerse, Belgium.
  • Tresadern G; Neuroscience Medicinal Chemistry, Janssen Research and Development, Janssen-Cilag , c/ Jarama 75A, 45007, Toledo, Spain.
J Chem Theory Comput ; 13(3): 1439-1453, 2017 Mar 14.
Article in En | MEDLINE | ID: mdl-28103438

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protease Inhibitors / Guanidine / Amyloid Precursor Protein Secretases Language: En Journal: J Chem Theory Comput Year: 2017 Document type: Article Affiliation country:

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Protease Inhibitors / Guanidine / Amyloid Precursor Protein Secretases Language: En Journal: J Chem Theory Comput Year: 2017 Document type: Article Affiliation country: