Ionotropic glutamate receptors (iGluRs) are ion channels activated by the neurotransmitter glutamate. They mediate neuronal communication and are key players in synaptic plasticity, which defines learning and memory. Dysfunction of iGluRs has been linked to conditions such as Alzheimer's disease and amyotrophic lateral sclerosis. Funded by the Marie Skłodowska-Curie Actions programme, the MOLiNTEL project aims to investigate the structure–function dynamics of iGluRs from a thermodynamics perspective. The objective is to elucidate the small structural changes that influence the complex nature of iGluR function. Machine learning in combination with Markov state models will be applied to the data set derived from the molecular dynamics simulations and computational thermodynamics techniques to create comprehensive models of iGluR function.
How does the brain determine the speed at which it operates? What are the molecular level participants in these process? What regulates their activity? These are the question we address in this project. We study a group of proteins called Ionotropic Glutamate Receptors (iGluRs) involved in forming the connection between neurons that activate circuits in the brain. We use computer simulations and artificial intelligence directed techniques to zoom into the microscopic details of their function.