Literature DB >> 31286566

Computational 1 H NMR: Part 3. Biochemical studies.

Leonid B Krivdin1,2.   

Abstract

This is the third and the last part of three closely interrelated reviews dealing with computation of 1 H nuclear magnetic resonance chemical shifts and 1 H-1 H spin-spin coupling constants. Present review deals with the computation of these parameters in biologically active natural products, carbohydrates, and other molecules of biological origin focusing on stereochemical applications of computational 1 H nuclear magnetic resonance to these objects.
© 2019 John Wiley & Sons, Ltd.

Entities:  

Keywords:  1H chemical shifts; 1H-1H spin-spin coupling constants; DFT and ab initio calculations; DNA and RNA; biochemical applications; carbohydrates; natural products; nucleosides; nucleotides; peptides

Year:  2019        PMID: 31286566     DOI: 10.1002/mrc.4895

Source DB:  PubMed          Journal:  Magn Reson Chem        ISSN: 0749-1581            Impact factor:   2.447


  2 in total

Review 1.  Computational NMR of Carbohydrates: Theoretical Background, Applications, and Perspectives.

Authors:  Leonid B Krivdin
Journal:  Molecules       Date:  2021-04-22       Impact factor: 4.411

2.  Toward a Computational NMR Procedure for Modeling Dipeptide Side-Chain Conformation.

Authors:  Jesús San Fabián; Ignacio Ema; Salama Omar; Jose Manuel García de la Vega
Journal:  J Chem Inf Model       Date:  2021-11-11       Impact factor: 4.956

  2 in total

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