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Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00623
Abstract: Intrinsically disordered proteins (IDPs) and folded proteins consist of the family of proteins. Molecular dynamics simulation as an important complement of experiment methods was widely used in the research of protein structure-function relationship. However, the…
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Keywords:
force field;
folded proteins;
force;
field ff03cmap ... See more keywords