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Comment on “Aromatic‐Backbone Interactions in Model α‐Helical Peptides” [Palermo et al., J Comput Chem 2007, 28, 1208]
Author(s) -
Mourik Tanja Van
Publication year - 2007
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.20869
Subject(s) - intramolecular force , intermolecular force , computational chemistry , superposition principle , chemistry , basis set , basis (linear algebra) , physics , mathematics , stereochemistry , molecule , quantum mechanics , density functional theory , organic chemistry , geometry
Palermo et al. have recently published a method to correct for intramolecular basis set superposition errors (J Comput Chem 2007, 28, 1208) in intramolecular interactions occurring in peptides. By considering the intermolecular equivalent of this method, it is shown that the method presented by Palermo et al. underestimates the magnitude of the intramolecular BSSE. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2008