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Construction of the small intestine on molecular dynamics simulation and preliminary exploration of drug intestinal absorption prediction.

Yanshuang ShiMengke ShengQing ZhouYuyao LiaoLijing LvJiaqi YangXinhui PengShuai CenXingxing DaiXinyuan Shi
Published in: Comput. Biol. Chem. (2022)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • fluid flow