Multiscale simulations unveil molecular mechanisms that shape brain plasticity

New publication on multiscale molecular simulations to investigate adenylyl cyclase-based signaling in the brain, together with colleagues collaborating in the Human Brain Project (HBP)

Scientists of the Human Brain Project (HBP), among them HITS researcher Rebecca Wade,  have used simulation tools to uncover molecular mechanisms of a family of enzymes that is key to processes related to brain plasticity and learning. Their results, published in WIREs Computational Molecular Science, provide insights into the dynamics between so-called adenylyl cyclase enzymes and the proteins that regulate their activity.

With their study, a collaboration between nine institutions from six countries, the authors present a proof of principle showing how using different molecular simulation techniques on a single enzyme and its regulators provides a detailed picture of its function – which would be difficult or impossible to obtain by empirical research.

See more in the HBP press release

Publication: https://wires.onlinelibrary.wiley.com/doi/10.1002/wcms.1623