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Molecular alignment of biologically active compounds is a key technique in ligand-based drug design.

Another factor which also affects the electrical conductivity is the molecular alignment of the chains within the entire system.

whereas the molecular alignment of the liquid crystal was induced at a usual voltage around ± 5 V.

However, for most studies, the reliability and efficiency of a CoMFA analysis depend on the correct molecular alignment of the ligands.

The results of Differential Scanning Calorimetry (DSC) analysis confirm the rolling process increases the crystallinity and molecular alignment of polypropylene in composites.

A molecular alignment of the selected scaffolds with molecules of active dataset was performed using the vROCS (release 3.1.2) [43] and visualized in VIDA (4.1.1) [44] available from OpenEye Scientific Software, Inc. [45].

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The experiments have also revealed a disruption of molecular alignment at the beginning of the drawing process and subsequent distinct improvement of molecular orientation along the draw direction in crystallites α and β.

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.

The mechanism for the enhanced recovery stress was due to cold-drawing induced molecular alignment and formation of some perfect crystals in the hard segment domain of the SMPF.

Previous texture evolution experiments carried out on high-density polyethylene to an equivalent strain of εe = 1.86 have indicated the development of a quasi-single-crystalline long-range coherence in the principal direction of molecular alignment parallel to the direction of extensional flow, in which the differentiation between crystalline and amorphous components is substantially weakened.

Compared to the previously reported HMQ analogous crystal (HMQ-T), which bears a 4-methylbenzenesulfonate counter anion, the HMQ-VBS crystals generally have similar features of molecular alignment, but show different characteristics of hydrogen bonds related to the anion anion and anion cation interactions, as well as π π stacking associated with the cation cation interactions.

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