Literature DB >> 7530320

Accounting for molecular mobility in structure determination based on nuclear magnetic resonance spectroscopic and X-ray diffraction data.

W F van Gunsteren1, R M Brunne, P Gros, R C van Schaik, C A Schiffer, A E Torda.   

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Year:  1994        PMID： 7530320     DOI： 10.1016/s0076-6879(94)39024-x

Source DB:  PubMed          Journal:  Methods Enzymol        ISSN： 0076-6879            Impact factor:   1.600


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  8 in total

1.  Assessing the effect of conformational averaging on the measured values of observables.

Authors:  R Bürgi; J Pitera; W F van Gunsteren
Journal:  J Biomol NMR       Date:  2001-04       Impact factor: 2.835

2.  On the calculation of ³Jαβ-coupling constants for side chains in proteins.

Authors:  Denise Steiner; Jane R Allison; Andreas P Eichenberger; Wilfred F van Gunsteren
Journal:  J Biomol NMR       Date:  2012-06-20       Impact factor: 2.835

3.  Methods of NMR structure refinement: molecular dynamics simulations improve the agreement with measured NMR data of a C-terminal peptide of GCN4-p1.

Authors:  Jozica Dolenc; John H Missimer; Michel O Steinmetz; Wilfred F van Gunsteren
Journal:  J Biomol NMR       Date:  2010-06-04       Impact factor: 2.835

4.  FINGAR: A new genetic algorithm-based method for fitting NMR data.

Authors:  D A Pearlman
Journal:  J Biomol NMR       Date:  1996-07       Impact factor: 2.835

5.  Time-averaged order parameter restraints in molecular dynamics simulations.

Authors:  Niels Hansen; Fabian Heller; Nathan Schmid; Wilfred F van Gunsteren
Journal:  J Biomol NMR       Date:  2014-10-14       Impact factor: 2.835

6.  Structure refinement with molecular dynamics and a Boltzmann-weighted ensemble.

Authors:  J Fennen; A E Torda; W F van Gunsteren
Journal:  J Biomol NMR       Date:  1995-09       Impact factor: 2.835

7.  Enhanced Sampling of Interdomain Motion Using Map-Restrained Langevin Dynamics and NMR: Application to Pin1.

Authors:  Jill J Bouchard; Junchao Xia; David A Case; Jeffrey W Peng
Journal:  J Mol Biol       Date:  2018-05-16       Impact factor: 5.469

8.  Modeling and simulation study to identify threonine synthase as possible drug target in Leishmania major.

Authors:  Rohan J Meshram; Kamini T Bagul; Snehal U Aouti; Akshay M Shirsath; Harleen Duggal; Rajesh N Gacche
Journal:  Mol Divers       Date:  2020-07-31       Impact factor: 3.364
  8 in total

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