Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations

DOI Web Site 被引用文献1件
  • Tomas Bastys
    Department for Computational Biology and Applied Algorithmics, Max Planck Institute for Informatics, D-66123 Saarbrücken, Germany
  • Vytautas Gapsys
    Computational Biomolecular Dynamics Group, Department of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, D-37077 Göttingen, Germany
  • Nadezhda T. Doncheva
    Department for Computational Biology and Applied Algorithmics, Max Planck Institute for Informatics, D-66123 Saarbrücken, Germany
  • Rolf Kaiser
    Institute for Virology, University Clinic of Cologne, D-50935 Köln, Germany
  • Bert L. de Groot
    Computational Biomolecular Dynamics Group, Department of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, D-37077 Göttingen, Germany
  • Olga V. Kalinina
    Department for Computational Biology and Applied Algorithmics, Max Planck Institute for Informatics, D-66123 Saarbrücken, Germany

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