Comment on "Aromatic-Backbone Interactions in Model alpha-Helical Peptides"

Tanja van Mourik

doi:10.1002/jcc.20869

Comment on "Aromatic-Backbone Interactions in Model alpha-Helical Peptides"

Research output: Contribution to journal › Editorial › peer-review

Abstract

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. (C) 2007 Wiley Periodicals, Inc.

Original language	English
Pages (from-to)	1-3
Number of pages	3
Journal	Journal of Computational Chemistry
Volume	29
Issue number	1
DOIs	https://doi.org/10.1002/jcc.20869
Publication status	Published - 15 Jan 2008

Keywords

intramolecular BSSE
counterpoise method
intramolecular interaction energy
SET SUPERPOSITION ERRORS

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10.1002/jcc.20869

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AB - 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. (C) 2007 Wiley Periodicals, Inc.

KW - intramolecular BSSE

KW - counterpoise method

KW - intramolecular interaction energy

KW - SET SUPERPOSITION ERRORS

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JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

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ER -

Comment on "Aromatic-Backbone Interactions in Model alpha-Helical Peptides"

Abstract

Keywords

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