Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases
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- S. Kashif Sadiq
- Centre for Computational Science, Department of Chemistry, University College London, London, WC1H 0AJ, United Kingdom
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- David W. Wright
- Centre for Computational Science, Department of Chemistry, University College London, London, WC1H 0AJ, United Kingdom
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- Owain A. Kenway
- Centre for Computational Science, Department of Chemistry, University College London, London, WC1H 0AJ, United Kingdom
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- Peter V. Coveney
- Centre for Computational Science, Department of Chemistry, University College London, London, WC1H 0AJ, United Kingdom
収録刊行物
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- Journal of Chemical Information and Modeling
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Journal of Chemical Information and Modeling 50 (5), 890-905, 2010-04-12
American Chemical Society (ACS)