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These findings unravel physical constraints fitting a spatially dependent least-action for water coordination, introduce a molecular design concept, and herald the advent of water-tight peptide-based materials with sufficient backbone exposure to remain flexible.
However, and this is the point of this work, water tightness may be achieved even in structured regions with backbone exposure to the solvent: The backbone-water hydrogen bond may not materialize if its formation requires that the cavity-penetrating water molecule relinquish a significant fraction of its coordination possibilities.
Similar(58)
Based on similarities between FM550 and PBDEs (e.g., modes of application, presence of brominated aromatic backbones), similar exposure pathways could be expected.
In contrast, spin labeling peripheral helices provides information about side chain packing, backbone dynamics, surface exposure, and changes thereof.
Thus, the exposure of backbone hydrogen bonds in native folds occurs invariably through the formation of small cavities that, in turn, form exclusively around EBHBs.
In summary we conclude that the pharmacokinetics of camptothecin are substantially changed by binding it to a polymeric backbone, showing controlled prolonged exposure of camptothecin.
This is consistent with the exposure in the backbone amides of the iSH2 domains that occurs in p110α and p110δ upon membrane binding and in p110β upon pY binding as measured by HDX-MS.
The solvent accessible subsets of residues from the lists generated as described above were determined using the software package NACCESS (Hubbard and Thornton, 1993) using 40% exposure of either backbone or sidechain atoms as the selection criterion; residues in this subset were chosen as 'active' in the HADDOCK docking protocol.
Intrachain hydrogen bonding defines backbone−backbone interactions, and the low contact order α-helix and β-hairpin structures are likely to be populated because they are particularly effective at reducing exposure of the peptide backbone to sarcosine or TMAO, thus mitigating the positive free energy of the DSE upon transfer of the peptide backbone to these poor solvents.
We note also that the density of the α-helix backbone remains visible even after an exposure of ∼50 e−/Å.
There is an additional diffraction peak corresponding to Si(200) in the pattern of sample ALD, which may result from the exposure of Si nanowire backbones or thin thickness of ZnO film.
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