Protein Behavior

 Multiscale Model of Protein Behavior Linked to Cancer-Causing Mutations

Lawrence Livermore National Laboratory, January 10, 2022

Researchers at the U.S. Department of Energy's Lawrence Livermore National Laboratory (LLNL) worked with a multi-institutional team on a multiscale model of the behavior of RAS proteins associated with cancer-inducing mutations. The researchers said the Multiscale Machine-Learned Modeling Infrastructure (MuMMI) could inform experiments and enhance understanding of RAS protein binding. MuMMI can extract insights at two temporal and spatial scales, allowing researchers to analyze thousands of RAS-lipid compositions and observe interaction patterns and RAS orientations. The team used LLNL's Sierra supercomputer to model a one-micron-by-one micron lipid patch to visualize the interaction of RAS proteins with lipids. The researchers said the experiments' findings will feed back into the MuMMI model, boosting its accuracy through a validation loop.  .... '