Ontology highlight
ABSTRACT:
SUBMITTER: Lara-Popoca J
PROVIDER: S-EPMC7498751 | biostudies-literature | 2020 Dec
REPOSITORIES: biostudies-literature
Lara-Popoca Jesús J Thoke Henrik S HS Stock Roberto P RP Rudino-Pinera Enrique E Bagatolli Luis A LA
Biochemistry and biophysics reports 20200913
Although inductive effects in organic compounds are known to influence chemical properties such as ionization constants, their specific contribution to the properties/behavior of amino acids and functional groups in peptides remains largely unexplored. In this study we developed a computationally economical algorithm for <i>ab initio</i> calculation of the magnitude of inductive effects for non-aromatic molecules. The value obtained by the algorithm is called the <i>Inductive Index</i> and we ob ...[more]