[dnhz]

Terrible pop sci title that makes the work sound a bigger deal than it is. I thought that evolution of cancer under drug treatment would be described. But a more accurate title would be, Computer simulations of proteins show molecular mechanism of particular resistance mutations to imatinib that were previously characterized to increase ligand dissociation kinetics.

That is, certain mutations in the protein that the drug imatinib inhibits enable cancer cells to be more resistant to the drug. A previous experimental study by the researchers found that these mutations increase the rate of drug unbinding from the protein. The study here describes computer simulations of the protein and explains why the mutations lead to increased dissociation kinetics. An advanced algorithm was used to sample ligand unbinding events in simulation.