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Ensemble-based docking: From hit discovery to metabolism and toxicity predictions.
Evangelista, Wilfredo; Weir, Rebecca L; Ellingson, Sally R; Harris, Jason B; Kapoor, Karan; Smith, Jeremy C; Baudry, Jerome.
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  • Evangelista W; Department of Biochemistry and Cellular and Molecular Biology, The University of Tennessee, Knoxville, TN, United States; UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN, United States.
  • Weir RL; Department of Biochemistry and Cellular and Molecular Biology, The University of Tennessee, Knoxville, TN, United States; UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN, United States.
  • Ellingson SR; UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN, United States; Genome Science and Technology, University of Tennessee, Knoxville, TN, United States; Division of Biomedical Informatics, College of Medicine, University of Kentucky and Cancer Research Informatics,
  • Harris JB; UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN, United States; Genome Science and Technology, University of Tennessee, Knoxville, TN, United States.
  • Kapoor K; UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN, United States; Genome Science and Technology, University of Tennessee, Knoxville, TN, United States.
  • Smith JC; Department of Biochemistry and Cellular and Molecular Biology, The University of Tennessee, Knoxville, TN, United States; UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN, United States; Genome Science and Technology, University of Tennessee, Knoxville, TN, Unite
  • Baudry J; Department of Biochemistry and Cellular and Molecular Biology, The University of Tennessee, Knoxville, TN, United States; UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN, United States; Genome Science and Technology, University of Tennessee, Knoxville, TN, Unite
Bioorg Med Chem ; 24(20): 4928-4935, 2016 10 15.
Article em En | MEDLINE | ID: mdl-27543390
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Preparações Farmacêuticas / Descoberta de Drogas / Simulação de Acoplamento Molecular Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2016 Tipo de documento: Article
Texto completo
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PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Preparações Farmacêuticas / Descoberta de Drogas / Simulação de Acoplamento Molecular Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2016 Tipo de documento: Article