Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins
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DOI: 10.1021/acs.jctc.0c00524
Abstract: A fundamental requirement to predict the native conformation, address questions of sequence design and optimization, and gain insights into the folding mechanisms of proteins lies in the definition of an unbiased reaction coordinate that reports… read more here.
Keywords: gap; energy; model protein; protein energetics ... See more keywords