Workshop in the MIDST of Mapping the Protein Landscape with Metadynamics
Sabanci University - Altunizade Campus, Istanbul, Turkey
Date: March 20, 2024
This one-day workshop is to be delivered by Canan Atilgan from Sabanci University. The morning session will be devoted to the theory of a general overview of advanced techniques for the conformational search of proteins. The issue of collective variables will also be addressed in some detail. We will then focus on the theory behind the metadynamics (MetaD) technique. In the afternoon, we will hold a hands-on session on setting up and running a MetaD simulation. We will finally focus on the analysis of the outputs and discuss best practices.
Level: Participants are expected to have minimal experience with MD simulations of proteins or similar systems
