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This course teaches advanced methods of biomolecular simulations by hands-on applications. Combined with an introduction to the theory, we will perform practical computer simulations of representative biophysical examples such as conformational transitions or proton transfer reactions in proteins. We will employ different enhanced sampling techniques, such as - umbrella sampling - replica exchange - metadynamics
Prerequisites: Lecture "Methods of Molecular Simulations" or course by Markus Miettienen "Initiation to Biomolecular Simulations"