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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26799
Abstract: Dynamics of protein cavities associated with protein fluctuations and conformational plasticity is essential for their biological function. NMR ensembles, molecular dynamics (MD) simulations, and normal mode analysis (NMA) provide appropriate frameworks to explore functionally relevant…
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Keywords:
cavity volumes;
analysis changes;
changes cavity;
flexibility ... See more keywords