Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring function.
作者： Ingo Reulecke , Gudrun Lange , Jürgen Albrecht , Robert Klein , Matthias Rarey
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摘要: … function buried in an apolar interface upon complex formation has been described but is often ignored.9, 10 However, recently published results that integrate … by a scoring function.11 …
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