Literature DB >> 17973392

Toward quantitative interpretation of methyl side-chain dynamics from NMR by molecular dynamics simulations.

Scott A Showalter1, Eric Johnson, Mark Rance, Rafael Brüschweiler.   

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Year:  2007        PMID： 17973392     DOI： 10.1021/ja075976r

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


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  28 in total

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3.  Evaluating the performance of the ff99SB force field based on NMR scalar coupling data.

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4.  Toward a predictive understanding of slow methyl group dynamics in proteins.

Authors:  Dong Long; Da-Wei Li; Korvin F A Walter; Christian Griesinger; Rafael Brüschweiler
Journal:  Biophys J       Date:  2011-08-17       Impact factor: 4.033

Review 5.  Assessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.

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Journal:  Biophys Rev       Date:  2012-09-01

6.  PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles.

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7.  The dynamic structure of thrombin in solution.

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Review 8.  Integrative, dynamic structural biology at atomic resolution--it's about time.

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9.  Atomic-level characterization of the ensemble of the Aβ(1-42) monomer in water using unbiased molecular dynamics simulations and spectral algorithms.

Authors:  Nikolaos G Sgourakis; Myrna Merced-Serrano; Christos Boutsidis; Petros Drineas; Zheming Du; Chunyu Wang; Angel E Garcia
Journal:  J Mol Biol       Date:  2010-11-05       Impact factor: 5.469

10.  The synthesis, characterization, and application of ¹³C-methyl isocyanide as an NMR probe of heme protein active sites.

Authors:  Christopher McCullough; Phani Kumar Pullela; Sang-Choul Im; Lucy Waskell; Daniel Sem
Journal:  Methods Mol Biol       Date:  2013
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