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md_utils

This repository contains the input files and the analysis scripts used for the manuscript "AI-Guided Conformational Dynamics of p53 L1 Loop Reveal an Allosteric Switch Regulating DNA Binding and Cancer Hotspots".

Please note that the development of this package was done ad hoc for the work explained in the manuscript and has been discontinued, you may find all its functionality and more in the Deep Cartograph project

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Scripts to analyze RAVE-related results and produce bias potential for subsequent rounds

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