Abstract:ABSTRACT:The structural rearrangement of the ligand binding domain (LBD) of human Vitamin D receptor (hVDR) complexed with 1a, 25-dihydroxyvitamin D 3 (natural ligand) and its analogues (denoted as b and c) was studied by molecular dynamics (MD) simulations. MD simulations revealed that these ligands could induce different structural changes of LBD, in which 1a, 25-dihydroxyvitamin D 3 only led to a minute change, suggesting that LBD adopted its canonical active conformation upon binding the natural ligand, wh… Show more
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