This research uses a computational method called MELT to identify hidden allosteric pockets in shape-shifting proteins like BCR–ABL kinase. By targeting these pockets, drugs can stabilize inactive protein states, overcoming resistance caused by protein flexibility and enabling more effective, adaptable strategies for drug discovery.

This research uses molecular simulations to study how ions and water move through nanopores, revealing counterintuitive effects of pore length and ion–water coupling. Understanding these nanoscale transport mechanisms helps improve desalination membrane design and provides insight into highly efficient biological channels such as aquaporins.