Computationally-assisted discovery and structure elucidation of natural products

Computer hardware development coupled with the development of quantum chemistry, new computational models and algorithms, and user-friendly interfaces have lowered the barriers to the use of computation in the discovery and structure elucidation of natural products. Consequently, the use of computat...

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Detalles Bibliográficos
Autores principales: Nugroho, Alfarius Eko, Morita, Hiroshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Singapore 2019
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6713678/
https://www.ncbi.nlm.nih.gov/pubmed/31093833
http://dx.doi.org/10.1007/s11418-019-01321-8
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author Nugroho, Alfarius Eko
Morita, Hiroshi
author_facet Nugroho, Alfarius Eko
Morita, Hiroshi
author_sort Nugroho, Alfarius Eko
collection PubMed
description Computer hardware development coupled with the development of quantum chemistry, new computational models and algorithms, and user-friendly interfaces have lowered the barriers to the use of computation in the discovery and structure elucidation of natural products. Consequently, the use of computational chemistry software as a tool to discover and determine the structure of natural products has become more common in recent years. In this review, we provide several examples of recent studies that used computer technology to facilitate the discovery and structure determination of various natural products.
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spelling pubmed-67136782019-09-13 Computationally-assisted discovery and structure elucidation of natural products Nugroho, Alfarius Eko Morita, Hiroshi J Nat Med Review Computer hardware development coupled with the development of quantum chemistry, new computational models and algorithms, and user-friendly interfaces have lowered the barriers to the use of computation in the discovery and structure elucidation of natural products. Consequently, the use of computational chemistry software as a tool to discover and determine the structure of natural products has become more common in recent years. In this review, we provide several examples of recent studies that used computer technology to facilitate the discovery and structure determination of various natural products. Springer Singapore 2019-05-15 2019 /pmc/articles/PMC6713678/ /pubmed/31093833 http://dx.doi.org/10.1007/s11418-019-01321-8 Text en © The Author(s) 2019, corrected publication June 2019 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits use, duplication, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.
spellingShingle Review
Nugroho, Alfarius Eko
Morita, Hiroshi
Computationally-assisted discovery and structure elucidation of natural products
title Computationally-assisted discovery and structure elucidation of natural products
title_full Computationally-assisted discovery and structure elucidation of natural products
title_fullStr Computationally-assisted discovery and structure elucidation of natural products
title_full_unstemmed Computationally-assisted discovery and structure elucidation of natural products
title_short Computationally-assisted discovery and structure elucidation of natural products
title_sort computationally-assisted discovery and structure elucidation of natural products
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6713678/
https://www.ncbi.nlm.nih.gov/pubmed/31093833
http://dx.doi.org/10.1007/s11418-019-01321-8
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