Literature DB >> 17402734

Distinguishing among structural ensembles of the GB1 peptide: REMD simulations and NMR experiments.

Daniel S Weinstock1, Chitra Narayanan, Anthony K Felts, Michael Andrec, Ronald M Levy, Kuen-Phon Wu, Jean Baum.   

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Year:  2007        PMID: 17402734      PMCID: PMC4142146          DOI: 10.1021/ja0677517

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


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  20 in total

Review 1.  Interpretation of chemical shifts and coupling constants in macromolecules.

Authors:  D A Case
Journal:  Curr Opin Struct Biol       Date:  2000-04       Impact factor: 6.809

2.  Beta-hairpin folding simulations in atomistic detail using an implicit solvent model.

Authors:  B Zagrovic; E J Sorin; V Pande
Journal:  J Mol Biol       Date:  2001-10-12       Impact factor: 5.469

3.  Calculation of ensembles of structures representing the unfolded state of an SH3 domain.

Authors:  W Y Choy; J D Forman-Kay
Journal:  J Mol Biol       Date:  2001-05-18       Impact factor: 5.469

4.  AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.

Authors:  Emilio Gallicchio; Ronald M Levy
Journal:  J Comput Chem       Date:  2004-03       Impact factor: 3.376

5.  Enhanced hairpin stability through loop design: the case of the protein G B1 domain hairpin.

Authors:  R Matthew Fesinmeyer; F Michael Hudson; Niels H Andersen
Journal:  J Am Chem Soc       Date:  2004-06-16       Impact factor: 15.419

6.  Free energy surfaces of beta-hairpin and alpha-helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model.

Authors:  Anthony K Felts; Yuichi Harano; Emilio Gallicchio; Ronald M Levy
Journal:  Proteins       Date:  2004-08-01

7.  Determination of protein structures consistent with NMR order parameters.

Authors:  Robert B Best; Michele Vendruscolo
Journal:  J Am Chem Soc       Date:  2004-07-07       Impact factor: 15.419

8.  Folding free-energy landscape of a 10-residue mini-protein, chignolin.

Authors:  Daisuke Satoh; Kentaro Shimizu; Shugo Nakamura; Tohru Terada
Journal:  FEBS Lett       Date:  2006-05-11       Impact factor: 4.124

9.  Rapid and accurate calculation of protein 1H, 13C and 15N chemical shifts.

Authors:  Stephen Neal; Alex M Nip; Haiyan Zhang; David S Wishart
Journal:  J Biomol NMR       Date:  2003-07       Impact factor: 2.835

10.  Determination of an ensemble of structures representing the denatured state of the bovine acyl-coenzyme a binding protein.

Authors:  Kresten Lindorff-Larsen; Sigridur Kristjansdottir; Kaare Teilum; Wolfgang Fieber; Christopher M Dobson; Flemming M Poulsen; Michele Vendruscolo
Journal:  J Am Chem Soc       Date:  2004-03-17       Impact factor: 15.419

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  6 in total

1.  Investigation of the Polymeric Properties of α-Synuclein and Comparison with NMR Experiments: A Replica Exchange Molecular Dynamics Study.

Authors:  Chitra Narayanan; Daniel S Weinstock; Kuen-Phon Wu; Jean Baum; Ronald M Levy
Journal:  J Chem Theory Comput       Date:  2012-06-05       Impact factor: 6.006

2.  Probing the Gaseous Structure of a β-Hairpin Peptide with H/D Exchange and Electron Capture Dissociation.

Authors:  Rita N Straus; Rebecca A Jockusch
Journal:  J Am Soc Mass Spectrom       Date:  2016-12-09       Impact factor: 3.109

3.  Structure of sodiated octa-glycine: IRMPD spectroscopy and molecular modeling.

Authors:  David Semrouni; O Petru Balaj; Florent Calvo; Catarina F Correia; Carine Clavaguéra; Gilles Ohanessian
Journal:  J Am Soc Mass Spectrom       Date:  2010-02-01       Impact factor: 3.109

4.  The AGBNP2 Implicit Solvation Model.

Authors:  Emilio Gallicchio; Kristina Paris; Ronald M Levy
Journal:  J Chem Theory Comput       Date:  2009-07-31       Impact factor: 6.006

5.  ABSINTH: a new continuum solvation model for simulations of polypeptides in aqueous solutions.

Authors:  Andreas Vitalis; Rohit V Pappu
Journal:  J Comput Chem       Date:  2009-04-15       Impact factor: 3.376

6.  Intramolecular cohesion of coils mediated by phenylalanine--glycine motifs in the natively unfolded domain of a nucleoporin.

Authors:  V V Krishnan; Edmond Y Lau; Justin Yamada; Daniel P Denning; Samir S Patel; Michael E Colvin; Michael F Rexach
Journal:  PLoS Comput Biol       Date:  2008-08-08       Impact factor: 4.475

  6 in total

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