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PubMed · 460210

[Interfragmental interaction in peptide molecules].

M V Vol'kenshteĭn·I B Golovanov·V M Sobolev
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Abstract

Orbital and Coulomb terms in total energy of the molecule may be estimated with the use of parameters, that were calculated from experimental or estimated data for the test molecules. It has been demonstrated how the parameters for calculating the barriers of internal rotation in ethane-like molecules and amides may be selected. These parameters were used for studying the interactions between two peptide groups in 2-formamideacetamide--the primitive model of peptide.

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AmidesChemical PhenomenaChemistryKineticsMathematicsPeptidesProtein BindingProtein ConformationEnglish AbstractJournal Article

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M V Vol'kenshteĭn, I B Golovanov, V M Sobolev. [Interfragmental interaction in peptide molecules].. https://pubmed.ncbi.nlm.nih.gov/460210/

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