Words similar to conformer

Example sentences for: conformer

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4) Use of 6-31G*-quality ESP charges as recommended for the continuum solvation models [ 2b 16 ] leads to conformer 2 , a non-polar type conformer distinct from 1, as the uniform global minimum for both gas phase and solution models (Table 3).
3) About half of the force field protocols in Table 2suggest the extended (uncollapsed) conformer 4 to be lowest in energy.
An interesting but fortuitous outcome in this respect is that conformer 4 , the T or butterfly conformer of Taxol, is predicted to be the dominant conformation by MMFF, AMBER* and MM2* under various protocols (Table 2).
The next lowest conformer is predicted to be 15-25 kcal/mol higher in energy, while overall conformer ranking between the different force fields generally inharmonious.
This conformer was assigned a low population in the multi-conformational analysis of Taxol in chloroform [ 12 ] , used in the fitting of the electron crystallographic density of the β-tubulin/Taxol complex in zinc-stabilized sheets, and ultimately assessed as the binding conformation for Taxol in this structure.