| A mechanism for their deactivation is proposed based on two different conformers decaying with different kinetics. |
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| In our calculations, however, the single x-ray snapshot was replaced by a variety of sterically consistent conformers that likely interconvert. |
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| The bounds are extracted from the set of low free energy conformers identified for oligopeptides representing these loop residue segments. |
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| Certainly, each generation has its conformers, its rebels, and its outsiders. |
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| If all rotamers clash with the rigid part of the protein, additional conformers are made by 300 rotations around the final bond. |
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| However, if conformers that make good hydrogen bonds to ionized sites are unavailable, the calculated ionization free energy will be wrong. |
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| Here we present a new method to carry out the sampling, and to identify low energy conformers of the molecule. |
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| As only library rotamers are used for heavy atom conformers, these are near torsion minima and their torsion energies are set to zero. |
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| Many unbound ligands exhibit an equilibrium mixture of several conformers, thus prohibiting a structural analysis by crystallographic methods. |
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| In the end, his sympathies are with the accepters, the conformers, those who stay put and make the most of things, the Lynches and the Blooms. |
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| Since December 1st, 1998, the program has also covered the purchase and fitting of conformers. |
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| Water gets conformers to make and accept available hydrogen bonds plus a conformer with no interaction with the protein, representing water in bulk solvent. |
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| The 14N nuclear quadrupole coupling hyperfine structure has been resolved for all conformers. |
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