Jungwirth Lab

Research focus

ERC Advanced Grant · 2022

Doing Charges Right: Modelling Ion-Controlled Biological Processes with the Correct Toolbox

Electrical stimuli are essential for a plethora of biological functions. Unlike in electronics, where electrons form currents, nature rather exploits ions as charge carriers. Lack of a consistent molecular picture of action of ions impairs progress in fundamental understanding of ion-controlled biological processes and in designing smart strategies for fixing ion-related pathological conditions. Molecular simulations represent a powerful tool for modelling such processes, however, they can only be as good as is the underlying interaction model (force field). A major drawback of commonly used force fields is the lack of description of electronic polarization, which results in severe…

From the public funding record at EU CORDIS. Describes the funded project, not the reviews below.