BioExcel CoE series of educational webinars for computational biomolecular research. The series cover broad topics related to the latest development of the supported software packages; their application to modelling and simulation; best practices for performance tuning and efficient usage on HPC and novel architectures; introductory tutorials for entry level users and much more.

Webinar: Hybrid Molecular Mechanics/Coarse-Grained approaches to model proteins with unknown 3D structure and low sequence identity: the case of G protein-coupled receptors (2017-12-14)

 BioExcel’s webinar series continue with a special discussion on multiple timescales in atomistic simulations and ways to address specific challenges in such models. Register Abstract Multiscale molecular dynamics approaches couple, in the same simulation, descriptions of the system at different resolutions. In particular, the so-called Molecular Mechanics/Coarse-Grained approach has […]