Natalia

#compchem Happy to see this one out in @NatureComms: "Histidine 73 methylation coordinates beta-actin plasticity in response to key environmental factors". nature.com/articles/s4146… We used large scale molecular dynamics simulations coupling adaptive sampling and the AMOEBA polarizable force field to study β-actin. As this work sheds  light onto the plasticity of the  β-actin isoform, where subtle structural changes can impact actin function, from the monomer to the filament, our results highlighted how the post translational modification of histidine 73 can drastically change the dynamic properties of actin in different forms, from the monomer to the filament. Our work reveals how subtle structural changes, such as a single methylation buried within the core of the protein, could have numerous consequences that affect protein plasticity at different scales. Stellar work by Adrien Schahl, and great collaboration with @Matth_Chavent , @AJEGOU_IJM and @prenbme. @Genci_fr @ERC_Research