Identification of potential wsb1 inhibitors by alphafold modeling, virtual screening, and molecular dynamics simulation studies

HIGHLIGHTS

  • who: Ye Weng and collaborators from the The Fourth School of Clinical Medicine, Zhejiang Chinese Medical University, Hangzhou, China have published the Article: Identification of Potential WSB1 Inhibitors by AlphaFold Modeling, Virtual Screening, and Molecular Dynamics Simulation Studies, in the Journal: Evidence-Based Complementary and Alternative Medicine of 13/05/2022
  • what: The authors focused on specific small molecule inhibitors of WSB1. This study applied virtual screening and molecular dynamics simulations; finally 20 compounds were obtained. The authors report a virtual screening campaign for WSB1 inhibitors on the ChemDiv library through a novel selection strategy . . .

     

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