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Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning.
Brocke, Stephanie A; Degen, Alexandra; MacKerell, Alexander D; Dutagaci, Bercem; Feig, Michael.
Afiliação
  • Brocke SA; Department of Biochemistry and Molecular Biology , Michigan State University , East Lansing , Michigan 48824 , United States.
  • Degen A; Department of Biochemistry and Molecular Biology , Michigan State University , East Lansing , Michigan 48824 , United States.
  • MacKerell AD; Department of Pharmaceutical Sciences , University of Maryland, School of Pharmacy , Baltimore , Maryland 21201 , United States.
  • Dutagaci B; University of Maryland Computer-Aided Drug Design Center , Baltimore , Maryland 21201 , United States.
  • Feig M; Department of Biochemistry and Molecular Biology , Michigan State University , East Lansing , Michigan 48824 , United States.
J Chem Inf Model ; 59(3): 1147-1162, 2019 03 25.
Article em En | MEDLINE | ID: mdl-30540459
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Permeabilidade da Membrana Celular / Aprendizado de Máquina / Modelos Biológicos Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2019 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Permeabilidade da Membrana Celular / Aprendizado de Máquina / Modelos Biológicos Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2019 Tipo de documento: Article