Daily Archives: April 28, 2017

State-of-the-art MD simulations reveal effects of molecular regulators on enzymatic activity

BioExcel partners at the Institute for Research in Biomedicine IRB in Barcelona unravel the mechanisms for enzyme regulation by using advanced techniques for enhanced sampling and free energy calculations. When one is managing a large-scale operation in which any misstep can lead to a catastrophe, it is only natural that […]