Our research focuses on the cutting-edge exploration of RNA structures, folding, interactions, and therapeutic applications using computational biophysics approaches. RNA plays a crucial role in numerous biological processes and has emerged as a promising target for therapeutic applications, particularly in RNA-based drugs and gene therapies. Through advanced molecular simulation techniques, we aim to uncover the fundamental mechanisms underlying RNA behavior and its interactions with various molecules.
We investigate how RNA molecules fold into their functional structures and how their conformations evolve over time. Using molecular dynamics simulations, we explore the driving forces behind RNA folding and misfolding, which are key to understanding their biological functions and potential misfolding. We are now particularly interested in the relationship between biological function and structural ensemble of long RNA molecules such as mRNAs, lncRNAs and viral genomes.
One of our primary interests is the interactions between RNA and formulation agents such as cationic polymers and lipids designed for drug delivery. By modelling these complexes and simulating the assembly process, we aim to understand the molecular mechanisms that govern the formulation from a physicochemical point of view. By combining simulations and experiments, our ultimate goal is to design and optimise carriers to improve RNA stability, cellular uptake and therapeutic efficacy.
Another important aspect of RNA’s biological role is to form various complexes with other proteins in order to function. These include large molecular machines involved in transcription, translation and many regulatory mechanisms in the cell, such as ribosomes and telomerase. RNA is also a key player in the formation of various types of condensates with intrinsically disordered proteins. We aim to address these problems using molecular simulation approaches.
We actively collaborate with academic and industry partners to advance the field of RNA science. If you are interested in collaborating or learning more about our research, please contact us.