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Deposit your masters paper, project or other capstone work. Deposit a peer-reviewed article or book chapter. Deposit a complete issue of a scholarly journal, newsletter or book.
Description: A significant fraction of proteins do not possess a defined 3D structure and they can be rather described as ensembles of rather diverse conformations. Molecular simulations and, particularly, enhanced-sampling techniques can be of great help to understand the intricate relationship between their structural dynamics and their biological function. We have access to state-of-the art computing platforms, and collaborations with many experimental labs that provide the data needed to the constant validation of our software and research applications. Your Task: You will develop and use simulations tools to predict their conformational properties and their interactions with cellular or viral partners. Comparison will be made with mass spectrometry and spectroscopy measurements.