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Exact(13)
The peroxy bonds in the target molecules were taken from UHP with the first peroxy carbon bond formed through a hemiketal exchange reaction and the second by either an intramolecular Michael addition or a Hg II -mediated ring-closure reaction.
The top ranking TCM molecules were taken for de novo design; the top three de novo products were further analyzed using molecular dynamics simulation and qualitative structure activity relationship (QSAR) model.
The initial geometries of the database molecules were taken from published supplementary materials [29 31].
For this purpose, n test /4 molecules were taken from each program.
The dissociation constants for the organic and inorganic ions, as well as the stability constants for Fe2+ complexes with the organic molecules, were taken from existing compilations.[46].[46]
The G6P molecules were taken from 2BHL after it was overlapped onto 2BH9 monomers.
Similar(47)
An analog of the Donnan equilibrium conditions is developed where self-ionization of water molecules is taken into account.
Franck Condon factors for electronic transitions in colliding molecules are taken into account for intramolecular and intermolecular energy transfer processes.
In the third problem the difference of masses and radii of vapour and air molecules is taken into account.
The chain length of solvent molecules is taken as 1, while that of the polymer is treated as r in the model.
The molecules are represented by models comprising interaction sites carrying fluctuating partial charges; in this way the role of the electronic polarizability of the solvent molecules is taken into account.
More suggestions(15)
medications were taken
criminals were taken
intellectuals were taken
cores were taken
atoms were taken
compounds were taken
particles were taken
genes were taken
species were taken
molecules were picked
molecules were compared
molecules were considered
molecules were produced
molecules were chosen
molecules were shown
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CEO of Professional Science Editing for Scientists @ prosciediting.com