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Journal Abstract Search

155 related items for PubMed ID: 9577228

  • 1. Reconstructing the protein-water interface.
    Makarov VA, Andrews BK, Pettitt BM.
    Biopolymers; 1998 Jun; 45(7):469-78. PubMed ID: 9577228
    [Abstract] [Full Text] [Related]

  • 2. A highly parallelizable integral equation theory for three dimensional solvent distribution function: application to biomolecules.
    Yokogawa D, Sato H, Imai T, Sakaki S.
    J Chem Phys; 2009 Feb 14; 130(6):064111. PubMed ID: 19222271
    [Abstract] [Full Text] [Related]

  • 3. Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials.
    Hassan SA, Mehler EL, Zhang D, Weinstein H.
    Proteins; 2003 Apr 01; 51(1):109-25. PubMed ID: 12596268
    [Abstract] [Full Text] [Related]

  • 4. A connected-cluster of hydration around myoglobin: correlation between molecular dynamics simulations and experiment.
    Lounnas V, Pettitt BM.
    Proteins; 1994 Feb 01; 18(2):133-47. PubMed ID: 8159663
    [Abstract] [Full Text] [Related]

  • 5. A "solvated rotamer" approach to modeling water-mediated hydrogen bonds at protein-protein interfaces.
    Jiang L, Kuhlman B, Kortemme T, Baker D.
    Proteins; 2005 Mar 01; 58(4):893-904. PubMed ID: 15651050
    [Abstract] [Full Text] [Related]

  • 6. 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 01; 47(5):767-90. PubMed ID: 11728092
    [Abstract] [Full Text] [Related]

  • 7. Prediction of hydration structures around hydrophilic surfaces of proteins by using the empirical hydration distribution functions from a database analysis.
    Matsuoka D, Nakasako M.
    J Phys Chem B; 2010 Apr 08; 114(13):4652-63. PubMed ID: 20201497
    [Abstract] [Full Text] [Related]

  • 8. Protein hydration observed by X-ray diffraction. Solvation properties of penicillopepsin and neuraminidase crystal structures.
    Jiang JS, Brünger AT.
    J Mol Biol; 1994 Oct 14; 243(1):100-15. PubMed ID: 7932732
    [Abstract] [Full Text] [Related]

  • 9. 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 14; 25(12):1504-14. PubMed ID: 15224394
    [Abstract] [Full Text] [Related]

  • 10. 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
    [Abstract] [Full Text] [Related]

  • 11. Do water molecules mediate protein-DNA recognition?
    Reddy CK, Das A, Jayaram B.
    J Mol Biol; 2001 Nov 30; 314(3):619-32. PubMed ID: 11846571
    [Abstract] [Full Text] [Related]

  • 12. Depth dependent dynamics in the hydration shell of a protein.
    Servantie J, Atilgan C, Atilgan AR.
    J Chem Phys; 2010 Aug 28; 133(8):085101. PubMed ID: 20815594
    [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. Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories?
    Morreale A, de la Cruz X, Meyer T, Gelpí JL, Luque FJ, Orozco M.
    Proteins; 2004 Nov 15; 57(3):458-67. PubMed ID: 15382247
    [Abstract] [Full Text] [Related]

  • 15. Multiple solvent crystal structures of ribonuclease A: an assessment of the method.
    Dechene M, Wink G, Smith M, Swartz P, Mattos C.
    Proteins; 2009 Sep 15; 76(4):861-81. PubMed ID: 19291738
    [Abstract] [Full Text] [Related]

  • 16. Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.
    Gauto DF, Di Lella S, Guardia CM, Estrin DA, Martí MA.
    J Phys Chem B; 2009 Jun 25; 113(25):8717-24. PubMed ID: 19485380
    [Abstract] [Full Text] [Related]

  • 17. Locating missing water molecules in protein cavities by the three-dimensional reference interaction site model theory of molecular solvation.
    Imai T, Hiraoka R, Kovalenko A, Hirata F.
    Proteins; 2007 Mar 01; 66(4):804-13. PubMed ID: 17186526
    [Abstract] [Full Text] [Related]

  • 18. On the application of structure-specific bulk-solvent models.
    Glykos NM.
    Acta Crystallogr D Biol Crystallogr; 2011 Aug 01; 67(Pt 8):739-41. PubMed ID: 21795815
    [Abstract] [Full Text] [Related]

  • 19. WATGEN: an algorithm for modeling water networks at protein-protein interfaces.
    Bui HH, Schiewe AJ, Haworth IS.
    J Comput Chem; 2007 Nov 15; 28(14):2241-51. PubMed ID: 17471455
    [Abstract] [Full Text] [Related]

  • 20. Effects of Acids, Bases, and Heteroatoms on Proximal Radial Distribution Functions for Proteins.
    Nguyen BL, Pettitt BM.
    J Chem Theory Comput; 2015 Apr 14; 11(4):1399-409. PubMed ID: 26388706
    [Abstract] [Full Text] [Related]

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