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Journal Abstract Search

94 related items for PubMed ID: 21795815

  • 1. On the application of structure-specific bulk-solvent models.
    Glykos NM.
    Acta Crystallogr D Biol Crystallogr; 2011 Aug; 67(Pt 8):739-41. PubMed ID: 21795815
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  • 2.
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  • 3. Atomic resolution (0.83 A) crystal structure of the hydrophobic protein crambin at 130 K.
    Teeter MM, Roe SM, Heo NH.
    J Mol Biol; 1993 Mar 05; 230(1):292-311. PubMed ID: 8450543
    [Abstract] [Full Text] [Related]

  • 4. Free energy landscape of protein folding in water: explicit vs. implicit solvent.
    Zhou R.
    Proteins; 2003 Nov 01; 53(2):148-61. PubMed ID: 14517967
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  • 5. Reconstructing the protein-water interface.
    Makarov VA, Andrews BK, Pettitt BM.
    Biopolymers; 1998 Jun 01; 45(7):469-78. PubMed ID: 9577228
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  • 6. High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site.
    Narayana N.
    Acta Crystallogr D Biol Crystallogr; 2006 Jul 01; 62(Pt 7):695-706. PubMed ID: 16790925
    [Abstract] [Full Text] [Related]

  • 7. Characterization of the denaturation of human alpha-lactalbumin in urea by molecular dynamics simulations.
    Smith LJ, Jones RM, van Gunsteren WF.
    Proteins; 2005 Feb 01; 58(2):439-49. PubMed ID: 15558602
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  • 8. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
    Patel S, Mackerell AD, Brooks CL.
    J Comput Chem; 2004 Sep 01; 25(12):1504-14. PubMed ID: 15224394
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  • 9. Molecular dynamics study of water penetration in staphylococcal nuclease.
    Damjanović A, García-Moreno B, Lattman EE, García AE.
    Proteins; 2005 Aug 15; 60(3):433-49. PubMed ID: 15971206
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  • 10. Molecular dynamics simulations of protein unfolding and limited refolding: characterization of partially unfolded states of ubiquitin in 60% methanol and in water.
    Alonso DO, Daggett V.
    J Mol Biol; 1995 Mar 31; 247(3):501-20. PubMed ID: 7714903
    [Abstract] [Full Text] [Related]

  • 11. An evaluation of implicit and explicit solvent model systems for the molecular dynamics simulation of bacteriophage T4 lysozyme.
    Arnold GE, Ornstein RL.
    Proteins; 1994 Jan 31; 18(1):19-33. PubMed ID: 8146120
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  • 12. Tertiary and quaternary structures of photoreactive Fe-type nitrile hydratase from Rhodococcus sp. N-771: roles of hydration water molecules in stabilizing the structures and the structural origin of the substrate specificity of the enzyme.
    Nakasako M, Odaka M, Yohda M, Dohmae N, Takio K, Kamiya N, Endo I.
    Biochemistry; 1999 Aug 03; 38(31):9887-98. PubMed ID: 10433695
    [Abstract] [Full Text] [Related]

  • 13. Exploring the conserved water site and hydration of a coiled-coil trimerisation motif: a MD simulation study.
    Dolenc J, Baron R, Missimer JH, Steinmetz MO, van Gunsteren WF.
    Chembiochem; 2008 Jul 21; 9(11):1749-56. PubMed ID: 18553323
    [Abstract] [Full Text] [Related]

  • 14. Bias in cross-validated free R factors: mitigation of the effects of non-crystallographic symmetry.
    Fabiola F, Korostelev A, Chapman MS.
    Acta Crystallogr D Biol Crystallogr; 2006 Mar 21; 62(Pt 3):227-38. PubMed ID: 16510969
    [Abstract] [Full Text] [Related]

  • 15. Application of maximum-entropy maps in the accurate refinement of a putative acylphosphatase using 1.3 A X-ray diffraction data.
    Nishibori E, Nakamura T, Arimoto M, Aoyagi S, Ago H, Miyano M, Ebisuzaki T, Sakata M.
    Acta Crystallogr D Biol Crystallogr; 2008 Mar 21; 64(Pt 3):237-47. PubMed ID: 18323618
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  • 16.
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  • 18. Analysis of solvent structure in proteins using neutron D2O-H2O solvent maps: pattern of primary and secondary hydration of trypsin.
    Kossiakoff AA, Sintchak MD, Shpungin J, Presta LG.
    Proteins; 1992 Mar 21; 12(3):223-36. PubMed ID: 1557350
    [Abstract] [Full Text] [Related]

  • 19. Large-scale networks of hydration water molecules around proteins investigated by cryogenic X-ray crystallography.
    Nakasako M.
    Cell Mol Biol (Noisy-le-grand); 2001 Jul 21; 47(5):767-90. PubMed ID: 11728092
    [Abstract] [Full Text] [Related]

  • 20. On the application of molecular-dynamics simulations to validate thermal parameters and to optimize TLS-group selection for macromolecular refinement.
    Glykos NM.
    Acta Crystallogr D Biol Crystallogr; 2007 Jun 21; 63(Pt 6):705-13. PubMed ID: 17505109
    [Abstract] [Full Text] [Related]

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