Why the study?
It remains unclear why blebbistatin inhibits myosin-II motors with different potencies despite binding at a highly conserved pocket that is always closed in experimental structures.
Effect estimate: R2=0.82
Differences in cryptic pocket formation identified via molecular dynamics simulations can predict the binding affinity and specificity of allosteric modulators like blebbistatin across myosin isoforms.
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Victoria Allgar (2002) studied this question. Blebbistatin was evaluated on Blebbistatin binding affinity (R2=0.82).
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