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Hypergraph-based persistent cohomology (HPC) for molecular representations in drug design.

Xiang LiuXiangjun WangJie WuKelin Xia
Published in: Briefings Bioinform. (2021)
Keyphrases
  • drug design
  • drug discovery
  • quantitative structure activity
  • protein structure prediction
  • protein protein interactions
  • pairwise
  • high performance computing
  • high throughput
  • dynamic programming