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As a check on the validity of the method it is possible to plot contours of the constant potential surface for such an agglomerate, and these are shown to coincide closely with the geometric surface.
We have experimentally identified two key intermediates in the dehydration of fructose to form HMF that were also identified, using theory, as local minima on the potential surface for reaction.
The potential surface for the wt-LOX-1 protein is wide and characterized by positive values above the basic spine region (red isopotential surface in Figure 6A and blue arginine residues in panel D), in line with the proposed electrostatic recognition with the negatively charged surface of ox-LDL [4], [5].
Thus, a potential surface for proton transfer from A to B can be formulated, parametric on the A, B, and all other atom coordinates.
Am-Tra2 protein contains a RBD that is supposed to directly interact with the pre-mRNA and two flanking RS-rich domains that provide a potential surface for an interaction with other proteins, such as Tra proteins (Amrein et al. 1988; Hoshijima et al. 1991; Graveley 2000; Sciabica and Hertel 2006).
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The computed electrostatic potential surfaces for both the IAM phase and the interacting nucleobases are intuitive in deconvoluting the retention patterns of pyrimidines molecularly.
Molecular electrostatic potential surfaces for three ChTX models, two of them charged and one neutral, are in good agreement with the direction of the corresponding electric dipole moments.
Electroformed gold grids used in the AIP can reduce quasi-hysteresis effect on current voltage curves in a plasma injection test and approximate ideal electrical potential surfaces for accurate data available in the future.
Electrostatic potential surfaces for 1,10-phenanthroline (phen) complexes 4– 6 show that higher electron density is present on the terminal phenyl ring of the Cpxbiph ligand in 6, Figure 5. Hydrolysis is often considered as an activation step in the MoA of transition metal anticancer agents, but IrIII complexes are often thought to be too inert to possess high activity.
An account of structure deformation is not essential for the shape of the potential surface both for the interwall interaction of carbon nanotubes [25, 27] and the intershell interaction of carbon nanoparticles [13, 14].
Fig. 2C and 2D demonstrate the electrostatic potential surface representation for HLA-B*5801 HLA-B*58015301, respectively.
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