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Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring.

Wen-Ling YeChao ShenGuo-Li XiongJun-Jie DingAi-Ping LuTingjun HouDong-Sheng Cao
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • integrating multiple
  • virtual screening
  • drug discovery
  • similarity searching
  • chemical structures
  • hiv protease
  • high throughput
  • energy minimization
  • scoring function
  • data structure