Computational methods for NMR and MS for structure elucidation I: software for basic NMR

Valli, Marilia; Russo, Helena Mannochio; Pilon, Alan Cesar; Ferreira Pinto, Meri Emili; Dias, Nathalia B.; Freire, Rafael Teixeira; Castro-Gamboa, Ian; Bolzani, Vanderlan da Silva

Abstract

Structure elucidation is an important and sometimes time-consuming step for natural products research. This step has evolved in the past few years to a faster and more automated process due to the development of several computational programs and analytical techniques. In this paper, the topics of NMR prediction and CASE programs are addressed. Furthermore, the elucidation of natural peptides is discussed.

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Título según WOS: ID WOS:000489530300005 Not found in local WOS DB
Título de la Revista: PHYSICAL SCIENCES REVIEWS
Volumen: 4
Número: 10
Editorial: WALTER DE GRUYTER GMBH
Fecha de publicación: 2019
DOI:

10.1515/psr-2018-0108

Notas: ISI