Flexible docking simulations: Scaled col
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Trosset, Jean-Yves; Scheraga, Harold A.
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Article
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1999
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John Wiley and Sons
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English
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An algorithm for docking a flexible ligand onto a flexible or rigid receptor, using the scaled-collective-variables Monte Carlo with energy minimization approach, is presented. Energy minimization is shown to be one of the best techniques for distinguishing between native-and nonnative-generated con