Literature DB >> 18000868

Comment on "aromatic-backbone interactions in model alpha-helical peptides" [Palermo et al., J Comput Chem 2007, 28, 1208].

Tanja Van Mourik1.   

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.

Entities:  

Mesh:

Substances:

Year:  2008        PMID: 18000868     DOI: 10.1002/jcc.20869

Source DB:  PubMed          Journal:  J Comput Chem        ISSN: 0192-8651            Impact factor:   3.376


  2 in total

1.  The role of weakly polar and H-bonding interactions in the stabilization of the conformers of FGG, WGG, and YGG: an aqueous phase computational study.

Authors:  József Csontos; Richard F Murphy; Sándor Lovas
Journal:  Biopolymers       Date:  2008-11       Impact factor: 2.505

2.  On the Use of Popular Basis Sets: Impact of the Intramolecular Basis Set Superposition Error.

Authors:  Ángel Vidal Vidal; Luis Carlos de Vicente Poutás; Olalla Nieto Faza; Carlos Silva López
Journal:  Molecules       Date:  2019-10-22       Impact factor: 4.411

  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.