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

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dc.contributor.authorValli, Marilia
dc.contributor.authorRusso, Helena Mannochio [UNESP]
dc.contributor.authorPilon, Alan Cesar [UNESP]
dc.contributor.authorPinto, Meri Emili Ferreira [UNESP]
dc.contributor.authorDias, Nathalia B.
dc.contributor.authorFreire, Rafael Teixeira
dc.contributor.authorCastro-Gamboa, Ian [UNESP]
dc.contributor.authorda Silva Bolzani, Vanderlan [UNESP]
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidad de La Frontera (UFRO)
dc.contributor.institutionUniversity of Greenwich (UoG)
dc.date.accessioned2023-07-29T12:27:42Z
dc.date.available2023-07-29T12:27:42Z
dc.date.issued2020-02-24
dc.description.abstractStructure 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.en
dc.description.affiliationLaboratory of Medicinal and Computational Chemistry (LQMC) Centre for Research and Innovation in Biodiversity and Drug Discovery Physics Institute of São Carlos University of São Paulo (USP), Avenida João Dagnone, no 1100
dc.description.affiliationNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of organic Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni 55
dc.description.affiliationScientific and Technological Bioresource Nucleus (BIOREN) Universidad de La Frontera (UFRO)
dc.description.affiliationMedway Metabonomics Research Group University of Greenwich (UoG)
dc.description.affiliationUnespNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of organic Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni 55
dc.format.extent177-203
dc.identifierhttp://dx.doi.org/10.1515/9783110579352-008
dc.identifier.citationVolume 1: Fundamental Concepts, p. 177-203.
dc.identifier.doi10.1515/9783110579352-008
dc.identifier.scopus2-s2.0-85138543450
dc.identifier.urihttp://hdl.handle.net/11449/245952
dc.language.isoeng
dc.relation.ispartofVolume 1: Fundamental Concepts
dc.sourceScopus
dc.subjectCASE
dc.subjectMass spectrometry
dc.subjectNuclear magnetic resonance
dc.titleComputational methods for NMR and MS for structure elucidation I: Software for basic NMRen
dc.typeCapítulo de livro
dspace.entity.typePublication

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