Measurements of agonist binding distances in MD simulations of epibatidine bound hα4β2 and hα3β4 nAChR ECDs.
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https://figshare.com/articles/dataset/_Measurements_of_agonist_binding_distances_in_MD_simulations_of_epibatidine_bound_h_945_4_946_2_and_h_945_3_946_4_nAChR_ECDs_/405618
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aDistance between positively charged N of epibatidine and backbone O of Trp148.
bDistance between positively charged N of epibatidine and center of mass for the indole group of Trp148 (Å).
cSingle epibatidine molecule bound to agonist binding site 1.
dEpibatidine bound to both agonist binding sites.
Average measurements calculated from 5 ns MD simulations with standard deviations in parentheses.
创建时间:
2011-09-15



