Discovery of novel S6K1 inhibitors by an ensemble-based virtual screening method and molecular dynamics simulation

Ribosomal protein S6 kinase beta-1 (S6K1) is considered a potential target for the treatment of various diseases, such as obesity, type II diabetes, and cancer. Development of novel S6K1 inhibitors is an urgent and important task for the medicinal chemists. In this research, an effective ensemble-ba...

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