This workshop may be of interest to BioExcel users. There will be talks from BioExcel partners FZ Juelich, IRB Barcelona, and the Max Planck Institute.
The goal of the present workshop is to foster discussions between scientists from different communities. These include scientists developing and applying statistical mechanical and quantum chemical methods – often dealing with accurate predictions of relative simple systems, such as ions in solutions, as well as biomolecular simulators, who have to deal with the enormous complexity of systems such as neurological receptors and ion channels, enzymes and nucleic acids binding to proteins. Here, many approximations and assumptions in the modeling of ions (such as the transferability of force fields parameters on different ionic strengths) are often accepted without validation. Direct communication and debate during and after the talks among scientists from different communities is a highly efficient way to challenge some of the commonly accepted approximations and lead to an overall improvement of the description of ions in neurobiological environments.
Full information, including application details, can be found on the website.