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Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design.

Kehan WuYingce XiaYang FanPan DengHaiguang LiuLijun WuShufang XieTong WangTao QinTie-Yan Liu
Published in: CoRR (2022)
Keyphrases
  • drug design
  • protein structure prediction
  • essential proteins
  • drug discovery
  • protein protein interactions
  • amino acids
  • quantitative structure activity
  • molecular structures
  • fine grained