Evaluation of CDK6 and p16/INK4a-Derived Peptides Interaction

نویسندگان

  • Andrey Kazennov
  • Andrey Alekseenko
  • Vladimir Bozhenko
  • Tatiana Kulinich
  • Nikolay Shuvalov
  • Yaroslav Kholodov
چکیده

The goal of this work is the development of novel peptides with high efficacy of inhibiting activity of CDK6/CyclinD complex. The peptides were derived from primary sequence of P16 protein and its homologues. The interactions between CDK6 and P16/INK4a-derived peptides are studied with molecular dynamics simulation employing umbrella sampling method. The SASA implicit solvent model was used for simulation, which was accelerated using NVIDIA GPUs.

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تاریخ انتشار 2013