Words similar to waals

Example sentences for: waals

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The flexible ligand was docked into a combination of five potential map representations of the RAR-α ligand binding pocket, which account for two Van der Waals boundaries, hydrophobicity, electrostatics and hydrogen bonding profiles [ 20, 27].
The efficient prediction of peptide side-chain conformations in the groove has been shown mainly due to van der Waals contribution.
This binding site coincides with that of AChBP, and is in agreement with photo-affinity labeling and mutagenesis study [ 6 11 ] . The ligand makes Van der Waals contact with Trp182, Tyr230 and Cys225-226 of alpha4, and Trp82, Leu146 and Phe144 of beta2 (Figure 3- Top).
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).
Physics-based functions based on electrostatics and van der Waals interactions do not discriminate well on their own, and only do so when an explicit solvation term is added to the functions.