Words similar to waals

Example sentences for: waals

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The calculated Van der Waals repulsions with alpha4-beta2 and alpha3-beta2 nAChRs remain small, and within the accuracy limit of Van der Waals energy prediction (the otherwise negligible displacement of an atom by a tenth of an Angstrom may result in several kcal/mol energy difference).
The efficient prediction of peptide side-chain conformations in the groove has been shown mainly due to van der Waals contribution.
The binding energy function, previously validated against a diversified benchmark [ 20 ] , includes a hydrophobic term, an electrostatic term, and an entropic term, but does not include Van der Waals energy, since this term is too noisy; Van der Waals interactions are supposed to be proportional to the interface of the interacting molecules, and incorporated into the surface (hydrophobic) term (see Materials and Methods).
As a result, the binding energy function has an accuracy of 2.5 kcal/mol, but does not account for potential Van der Waals clashes.
After careful visual inspection for shape complementarity, hydrogen bonding network, compound flexibility, and potential Van der Waals clashes, 30 molecules out of 300 were selected and purchased to be experimentally tested in vitro . We should stress out here that the Van der Waals term is too noisy to be added to the binding energy function, as discussed in details elsewhere [ 21].