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Discovery of LRRK2 inhibitors using sequential in silico joint pharmacophore space (JPS) and ensemble docking.
Lang, Christian A; Ray, Soumya S; Liu, Min; Singh, Ambuj K; Cuny, Gregory D.
Afiliação
  • Lang CA; Acelot, Inc., 5385 Hollister Avenue, Suite 111, Santa Barbara, CA 93111, USA.
  • Ray SS; Department of Neurology, Brigham & Women's Hospital and Harvard Medical School, 65 Landsdowne St, 4th Floor, Cambridge, MA 02139, USA. Electronic address: soumya.ray@schrodinger.com.
  • Liu M; Laboratory for Drug Discovery in Neurodegeneration, Harvard NeuroDiscovery Center, Brigham & Women's Hospital and Harvard Medical School, 65 Landsdowne St, 4th Floor, Cambridge, MA 02139, USA.
  • Singh AK; Department of Computer Science, University of California at Santa Barbara, Harold Frank Hall, Santa Barbara, CA 93106, USA. Electronic address: ambuj@cs.ucsb.edu.
  • Cuny GD; Department of Pharmacological and Pharmaceutical Sciences, University of Houston, College of Pharmacy, 549A Science and Research Bldg 2, Houston, TX 77204, USA. Electronic address: gdcuny@central.uh.edu.
Bioorg Med Chem Lett ; 25(13): 2713-9, 2015 Jul 01.
Article em En | MEDLINE | ID: mdl-25998502
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Proteínas Serina-Treonina Quinases / Inibidores de Proteínas Quinases Idioma: En Ano de publicação: 2015 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Proteínas Serina-Treonina Quinases / Inibidores de Proteínas Quinases Idioma: En Ano de publicação: 2015 Tipo de documento: Article