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Assessing the performance of three resveratrol in binding with SIRT1 by molecular dynamics simulation and MM/GBSA methods: the weakest binding of resveratrol 3 to SIRT1 triggers a possibility of dissociation from its binding site.

Han ChenYan WangZheng GaoWen YangJian Gao
Published in: J. Comput. Aided Mol. Des. (2019)
Keyphrases
  • molecular dynamics
  • mathematical models
  • database
  • data mining
  • machine learning methods