Quantifying water-mediated protein-ligand interactions in a glutamate receptor: a DFT study.

J Phys Chem B · 2011 · PMC3102440 · PMID 21545106

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quite significantno p-value reported

Together, the results support the notion that scoring functions must incorporate terms other than interaction energies in an accurate fashion if they are to be useful.( 75 ) The results from the RESP calculations suggest that polarization effects can be quite significant in the case of glutamate but less so for AMPA.

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