R. Aguayo-Ortiz

This study combines computational and experimental methods to evaluate drug potency, efficacy, and safety for targeting membrane proteins, using SERCA2a as a model.

The paper investigates sarcolamban peptides from invertebrates to determine their regulatory effects on SERCA1a, finding they act as super-inhibitors with phospholamban-like or sarcolipin-like characteristics.

This study uses simulations and experiments to show Ca2+ binding induces structural changes in the SERCA-PLB complex, pre-activating SERCA through dynamic allostery.

This study uses molecular dynamics simulations to show that the conserved C-terminal domain of sarcolipin dynamically controls interdomain communication, essential for its regulatory function.