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].
Table 1shows that binding energy differences between the two ligands and the four nAChR subtypes are rather small, and within the 2.5 kcal/mol accuracy of the estimates [ 20 ] . As expected, no Van der Waals clash is observed.
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.
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].
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.