articleNature Machine IntelligenceFeb 12, 2024Closed access

State-specific protein–ligand complex structure prediction with a multiscale deep generative model

ZQZhuoran QiaoWNWeili NieAVArash VahdatTFThomas F. MillerAAAnima Anandkumar

California Institute of Technology · Nvidia (United States)

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139
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Topics & keywords

Topics
Keywords
  • Ligand (biochemistry)
  • Protein ligand
  • Drug discovery
  • Computer science
  • Protein structure
  • Native state
  • Protein structure prediction
  • Computational biology
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