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タグ: structure_refinement [10 articles]

Recent papers classified by the tag structure_refinement.
  • De Novo Computational Design of Retro-Aldol Enzymes
    Science, Vol. 319, No. 5868. (7 March 2008), pp. 1387-1391.
    by Lin Jiang, Eric A Althoff, Fernando R Clemente, Lindsey Doyle, Daniela Rothlisberger, Alexandre Zanghellini, Jasmine L Gallaher, Jamie L Betker, Fujie Tanaka, Carlos F Barbas, Donald Hilvert, Kendall N Houk, Barry L Stoddard, David Baker
    posted to structure_refinement protein_ligand protein_design by barry to the group McCammon on 2008-07-08 01:28:41 as **** along with 10 people and 2 groups ucbcjbm aalibes jwm aprasad dgront zwang sobolevnrm davidlott msuarezdiez scienbox structural_bioinformatics baker-group
  • Sampling of near-native protein conformations during protein structure refinement using a coarse-grained model, normal modes, and molecular dynamics simulations
    Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2007), NA.
    by Andrew W Stumpff-Kane, Katarzyna Maksimiak, Michael S Lee, Michael Feig
    posted to comparative_model md_simulation nma protein_structure structure_refinement by barry on 2007-09-27 18:43:03 as read along with 1 person and 2 groups sobolevnrm structural_bioinformatics baker-group
  • Refinement of NMR structures using implicit solvent and advanced sampling techniques.
    J Am Chem Soc, Vol. 126, No. 49. (15 December 2004), pp. 16038-16047.
    by J Chen, W Im, CL Brooks
    posted to cgreview sampling structure_refinement by baaden on 2005-08-04 13:03:42 as ** along with 1 person bilab
  • Relative stability of protein structures determined by X-ray crystallography or NMR spectroscopy: a molecular dynamics simulation study.
    Proteins, Vol. 53, No. 1. (1 October 2003), pp. 111-120.
    by H Fan, AE Mark
    posted to structure_refinement by andreasauerwein on 2005-08-11 12:40:30 as **
  • Improving the quality of NMR and crystallographic protein structures by means of a conformational database potential derived from structure databases.
    Protein Sci, Vol. 5, No. 6. (June 1996), pp. 1067-1080.
    by J Kuszewski, AM Gronenborn, GM Clore
    posted to structure_refinement by andreasauerwein on 2005-08-12 08:29:39 as **
  • Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMR-spectroscopy.
    Q Rev Biophys, Vol. 26, No. 1. (February 1993), pp. 49-125.
    by AT Brünger, M Nilges
    posted to structure_refinement by andreasauerwein on 2005-08-11 16:03:15 as **
  • Improving the accuracy of NMR structures of DNA by means of a database potential of mean force describing base-base positional interactions.
    J Am Chem Soc, Vol. 123, No. 17. (2 May 2001), pp. 3903-3918.
    by J Kuszewski, C Schwieters, GM Clore
    posted to structure_refinement by andreasauerwein on 2005-08-12 08:25:09 as **
  • Ambiguous distance data in the calculation of NMR structures.
    Fold Des, Vol. 2, No. 4. (1997)
    by M Nilges
    posted to structure_refinement by andreasauerwein on 2005-08-11 16:50:12 as **
  • The structure of the melittin tetramer at different temperatures--an NOE-based calculation with chemical shift refinement.
    Eur J Biochem, Vol. 257, No. 2. (15 October 1998), pp. 479-487.
    by M Iwadate, T Asakura, MP Williamson
    posted to structure_refinement by andreasauerwein on 2005-08-11 13:17:06 as **
  • Structure calculation from NMR data.
    Curr Opin Struct Biol, Vol. 6, No. 5. (October 1996), pp. 617-623.
    by M Nilges
    posted to structure_refinement by andreasauerwein on 2005-08-11 16:32:20 as **
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