Skip to main content
  • Saved

made a Post

KRAS(G12C)-AMG 510 interaction dynamics revealed by all-atom molecular dynamics simulations

KRAS(G12C)-AMG 510 interaction dynamics revealed by all-atom molecular dynamics simulations

Source :

https://www.nature.com/articles/s41598-020-68950-y

The first KRAS(G12C) targeting inhibitor in clinical development, AMG 510, has shown promising antitumor activity in clinical trials. On the molecular level, however, the interaction dynamics of this covalently bound drug-protein complex has been undetermined. Here, we disclose the interaction dynamics of the KRAS(G12C)-AMG 510 complex by long timescale all-atom molecular dynamics (MD) simulations (total of 75 μs).