Literature DB >> 8784950

Recent progress in understanding chemical shifts.

A C de Dios1, E Oldfield.   

Abstract

In the past three or four years computer hardware and software developments have reached the stage where the nuclear magnetic resonance (NMR) spectra of many molecular systems can now be accurately evaluated. Detailed analysis of chemical shifts may soon become a routine part of solid (and liquid) state NMR structure prediction in chemistry and biology, and this Article covers the development of the topic from its earliest beginnings.

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Year:  1996        PMID: 8784950     DOI: 10.1016/0926-2040(95)01207-9

Source DB:  PubMed          Journal:  Solid State Nucl Magn Reson        ISSN: 0926-2040            Impact factor:   2.293


  8 in total

1.  Switches of hydrogen bonds during ligand-protein association processes determine binding kinetics.

Authors:  Yu-ming M Huang; Myungshim Kang; Chia-en A Chang
Journal:  J Mol Recognit       Date:  2014-09       Impact factor: 2.137

2.  Determination of the orientation and dynamics of ergosterol in model membranes using uniform 13C labeling and dynamically averaged 13C chemical shift anisotropies as experimental restraints.

Authors:  O Soubias; F Jolibois; S Massou; A Milon; V Réat
Journal:  Biophys J       Date:  2005-05-27       Impact factor: 4.033

Review 3.  Chemical shift tensors: theory and application to molecular structural problems.

Authors:  Julio C Facelli
Journal:  Prog Nucl Magn Reson Spectrosc       Date:  2010-12-15       Impact factor: 9.795

4.  Protonation states and catalysis: Molecular dynamics studies of intermediates in tryptophan synthase.

Authors:  Yu-Ming M Huang; Wanli You; Bethany G Caulkins; Michael F Dunn; Leonard J Mueller; Chia-En A Chang
Journal:  Protein Sci       Date:  2015-09-22       Impact factor: 6.725

5.  NMR-based structural modeling of graphite oxide using multidimensional 13C solid-state NMR and ab initio chemical shift calculations.

Authors:  Leah B Casabianca; Medhat A Shaibat; Weiwei W Cai; Sungjin Park; Richard Piner; Rodney S Ruoff; Yoshitaka Ishii
Journal:  J Am Chem Soc       Date:  2010-04-28       Impact factor: 15.419

6.  A conformational equilibrium in a protein fragment caused by two consecutive capping boxes: 1H-, 13C-NMR, and mutational analysis.

Authors:  R Guerois; F Cordier-Ochsenbein; F Baleux; T Huynh-Dinh; J M Neumann; A Sanson
Journal:  Protein Sci       Date:  1998-07       Impact factor: 6.725

7.  Direct NMR observation and DFT calculations of a hydrogen bond at the active site of a 44 kDa enzyme.

Authors:  Alexander Eletsky; Tim Heinz; Osvaldo Moreira; Alexander Kienhöfer; Donald Hilvert; Konstantin Pervushi
Journal:  J Biomol NMR       Date:  2002-09       Impact factor: 2.835

8.  Solvent effects on structural and thermochemical properties of p53 tumor-suppressor gene: a molecular modeling approach in drug design.

Authors:  Shiva Irani; Seyed Mohammad Atyabi; Houri Mivehchi; Seyed Davar Siadat; Mohammad Reza Aghasadeghi; Ali Farhangi
Journal:  Int J Nanomedicine       Date:  2011-09-20
  8 in total

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