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Structure-Based Drug Design via 3D Molecular Generative Pre-training and Sampling.

Yuwei YangSiqi OuyangXueyu HuMingyue ZhengHao ZhouLei Li
Published in: CoRR (2024)
Keyphrases
  • drug design
  • quantitative structure activity
  • drug discovery
  • protein structure prediction
  • protein protein interactions
  • protein protein
  • high precision
  • biologically inspired