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b Instantaneous structure when SiC abrasive grains move 7.5 Å.

A coupled hydrodynamic force approach, regarding vortex-induced lift force along with fluid drag force, is developed, which takes into account of the interaction between instantaneous structure motion and fluid dynamics.

Based on the instantaneous structure modal analysis of the mechanism, the eigenfrequency affiliation between the mechanism and the structure is discussed, thus the cut-off frequency of the low-pass filter is determined.

The poor overlap between the crystal structure and the instantaneous structure is evident.

The close overlap shows that the two vertical interfaces in this instantaneous structure are similar.

An instantaneous structure (t = 89 ns) of the Src-like module and an instantaneous structure (t = 12 ns) of the PH-TH-kinase construct from the molecular dynamics trajectory are overlaid, using the kinase domain C-lobe as the reference.

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Because water molecules are highly contracted in the average conformer A3C, structural information on water has to be obtained from instantaneous structures.

The instantaneous structures and an average of the instantaneous structures are hereafter termed conformers and an average conformer, respectively.

A total of 2,000 instantaneous structures collected at 50-ps intervals during the last 1.0-ns 1.0-ns of the 100 simulations were subjected to a first-round cluster analysis using the averagelinkage algorithm (eperiod = 2.0 Å and RMS of alpha-carbon athes) [35].

The instantaneous structures are aligned using the crystal structure as the reference.

Instantaneous structures from this simulation are shown overlaid with the crystal structure for either the dodecameric (PDB code: 2UX0) or tetradecameric (PDB code: 1HKX) hub assembly.

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