{"title":"Effect of External Electric Field Upon Selected Model Dipeptides","authors":"J. Mazurkiewicz, P. Tomasik","doi":"10.3968/4294","DOIUrl":null,"url":null,"abstract":"Effect of external electric field (EEF) of 0.001, 0.005 and 0.01 a.u. upon molecular energy, charge distribution and dipole moments of non-dissociated and inner salt forms of selected dipeptides formed from alanine (Ala), glutamic acid (GluA), and ornithine (Orn) that is, Ala-Ala, Ala-GluA, GluA-Ala, Ala-Orn, Orn-Ala involving α-amino group of Orn and Orn-Ala involving δ-amino group of Orn. For that purpose HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecules in a computer vacuum.","PeriodicalId":7348,"journal":{"name":"Advances in Natural Science","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2013-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Natural Science","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3968/4294","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1
Abstract
Effect of external electric field (EEF) of 0.001, 0.005 and 0.01 a.u. upon molecular energy, charge distribution and dipole moments of non-dissociated and inner salt forms of selected dipeptides formed from alanine (Ala), glutamic acid (GluA), and ornithine (Orn) that is, Ala-Ala, Ala-GluA, GluA-Ala, Ala-Orn, Orn-Ala involving α-amino group of Orn and Orn-Ala involving δ-amino group of Orn. For that purpose HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecules in a computer vacuum.
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