title: RevErbα preferentially deforms DNA by induced fit.
abstract: Using free-energy simulations, we have shown that RevErbα-induced DNA deformation preferentially occurs by induced fit rather than by conformational selection, even though the DNA is only slightly distorted in the complex. Our study shows that information on the sequence of binding events is needed to establish whether conformational selection or induced fit is operative, and that the presence of multiple apo-state structures might not be enough to distinguish between these binding models
authors.forename: Ying-Hua
authors.initials: YH
authors.lastname: Chung
authors.forename: Arjan
authors.initials: A
authors.lastname: van der Vaart
mesh_terms: D004247:DNA / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D056953:Nuclear Receptor Subfamily 1, Group D, Member 1 / Q000737:chemistry / Q000378:metabolism*; D009690:Nucleic Acid Conformation; D011485:Protein Binding; D013816:Thermodynamics
chemical_list: D056953:Nuclear Receptor Subfamily 1, Group D, Member 1; D004247:DNA