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Herein, we describe our anchored-alignment approach in detail using a previously introduced set-theoretical alignment concept.
The p-NH2 conformations for both the 2,4′-MDA isomer and the 4,4′-MDA isomer demonstrate close theoretical CCS alignment and thus support the assignment of the larger observed CCS value.
These theoretical band alignments show a characteristic staggered band alignment for the design of heterojunction devices in photovoltaic applications.
In this context they obtained two improvements: Using a correction to account for finite sequence lengths and sum statistics of the k-best alignments, theoretical predictions for ungapped alignments could be applied more accurately to gapped alignments.
We compare these results, as well as previously reported experimental results for fibrils formed by other β-amyloid fragments, with theoretical predictions of molecular alignment based on databases of residue-specific alignments in antiparallel β-sheets in known protein structures.
EEO carried out the theoretical study and sequence alignment.
We find good alignment between theoretical predictions and experimental results.
A theoretical model describing the alignment process is presented and used to quantify the effects of key parameters on the time needed for the alignment process.
Theoretical modeling of the alignment process has identified the key parameters that control the rotation and chain-formation of the GnPs.
In a typical study of magnetic grain alignment, a theoretical Bs value is calculated by inserting observed M, Δχ and T values in Eq. (1), and the obtained value is compared with an experimental Bs obtained from the measured 〈m〉-B relationship.
Rachid carried out the theoretical study, the sequence alignment and drafted the manuscript.
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