S. Perez-Conesa

This study uses enhanced sampling simulations to analyze the free energy landscape of KcsA inactivation, identifying key residues and force field dependencies in the process.

This study identifies electroporation sites in the plasma membrane by combining simulations, machine learning, and Bayesian analysis, showing pores form in lipid domains with high polyunsaturated lipid density and depend on mechanical properties and electric field polarity.

This study investigates how nanobody binding stabilizes the active state of the β2-adrenergic receptor and modulates ligand affinity through conformational changes and allosteric signaling.

This study investigates the SARS-CoV-2 E protein's effects on membrane curvature and intracellular calcium, using experimental and computational methods.

The paper uses molecular dynamics simulations and NMR data to identify the activated state of the KcsA ion channel that best matches experimental SSNMR results.

The paper extends residue interaction networks to include lipids and small molecules, showing their role in membrane protein allostery using three protein examples.