Institutionen för biologisk grundutbildning


Degree project to help further develop the C++ toolkit "Alexandria"

The C++ toolkit "Alexandria", among other things, generates topologies of molecules for their use in molecular dynamics simulations, for instance in drug design. This particular master project aims to design a web-based service in order to facilitate using Alexandria force fields in large-scale applications such as drug discovery and material sciences.

Web-based service to generate molecular topologies

Department: ICM, UU
Place: BMC, Uppsala
Start: As agreed upon
Application: Contact the PI!