Course/Event Essentials
Event/Course Start
Event/Course End
Event/Course Format
In person
Primary Event/Course URL
Training Content and Scope
Scientific Domain
Technical Domain
Level of Instruction
Intermediate
Sector of the Target Audience
Research and Academia
HPC Profile of Target Audience
Application Users
Language of Instruction
Other Information
Organiser
Event/Course Description
This one-day event 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.