Exact(4)
The concerted dynamics of protein and ligand suggests that there may exist multiple FABP4 ligand binding conformations.
To our knowledge, this is the first report of the concerted dynamics of the protein and its ligand through MD simulations.
Furthermore, we investigated the concerted dynamics of FABP4 ligand complexes and found that, coupled with opening and closing of FABP4, the ligand could adopt distinct binding modes.
Further analysis using high-resolution room temperature crystallography coupled with multiconformer model building using qFit and automated "pathway analysis" using CONTACT suggested that the mutation results in an increase of nonproductive, frustrated motions, while the concerted dynamics in the Met20 loop are inhibited.
Similar(56)
Well established experimental approaches are available to offer a limited degree of characterization of mechanical properties within proteins, but the analytical capabilities of computational methods are evolving rapidly in their ability to accurately define the subtle and concerted structural dynamics that comprise allostery.
This appears to occur by a mechanism involving concerted global dynamics.
The similar number of substitutions in the diploids and the tetraploids and detection of positive selection for only one of the allotetraploid copies in the duplicated 11-12 frareent are in favor of concerted evolutionary dynamics.
Proper axon guidance also requires concerted regulation of the cytoskeletal dynamics underlying axon outgrowth and steering [76].
In some cases, the concerted evolution of socially-interacting phenotypes may result in runaway dynamics, including accelerating arms races, rapid host race formation, and speciation [14] [16], [19].
In this study, the structural limitations on concerted evolution are very well demonstrated by arrays with mixed dynamics.
The two control regions also appear to have different intra-specific versus inter-specific evolutionary dynamics that may be associated with complex modes of concerted evolution.
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