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Uni-GBSA: an open-source and web-based automatic workflow to perform MM/GB(PB)SA calculations for virtual screening.

Maohua YangZonghua BoTao XuBo XuDongdong WangHang Zheng
Published in: Briefings Bioinform. (2023)
Keyphrases
  • open source
  • virtual screening
  • chemical structures
  • drug discovery
  • similarity searching
  • databases
  • data analysis
  • knn
  • high speed
  • high throughput