Definitions

from Wiktionary, Creative Commons Attribution/Share-Alike License.

  • adjective chemistry Describing electron pairs that take no part in bonding

Etymologies

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Examples

  • The time step of the free MD simulations was 2 fs, with a cutoff of 13 Å for the nonbonded interaction, and SHAKE

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  • C, Yeates TO (1993) Verification of protein structures: patterns of nonbonded atomic interactions.

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  • At a second stage, the best solutions were submitted to a simulated annealing (SA) procedure with all nonbonded interactions on all free protein side-chains and the tethered backbone.

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  • Meanwhile the oxygen atom has lone pairs of nonbonded electrons that render it weakly basic in the presence of strong acids such as sulfuric acid.

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  • Colovos C, Yeates TO (1993) Verification of protein structures: patterns of nonbonded atomic interactions.

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  • However, it should be considered that calculation of the native nonbonded energy using the first eigenvalue and associated eigenvector is a simplified approximation of the complex and rough energy landscape of a protein.

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  • For the nonbonded interactions, an extended electrostatic treatment was applied with the electrostatic interactions within 12 Å described by group-based coulombic interactions.

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  • For the nonbonded interactions, an extended electrostatic treatment was applied with the electrostatic interactions within 12 Å described by group-based coulombic interactions.

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  • [101] was used for multiple time-stepping: 4 fs for the long-range electrostatic forces, 2 fs for short-range nonbonded forces, and 1 fs for bonded forces.

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  • [101] was used for multiple time-stepping: 4 fs for the long-range electrostatic forces, 2 fs for short-range nonbonded forces, and 1 fs for bonded forces.

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