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Journal Abstract Search

109 related items for PubMed ID: 15260749

  • 21. Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surfaces.
    Notman R, Walsh TR.
    Langmuir; 2009 Feb 03; 25(3):1638-44. PubMed ID: 19125653
    [Abstract] [Full Text] [Related]

  • 22. Dynamics of a protein and water molecules surrounding the protein: hydrogen-bonding between vibrating water molecules and a fluctuating protein.
    Yoshioki S.
    J Comput Chem; 2002 Feb 03; 23(3):402-13. PubMed ID: 11908503
    [Abstract] [Full Text] [Related]

  • 23. Mechanisms of guanosine triphosphate hydrolysis by Ras and Ras-GAP proteins as rationalized by ab initio QM/MM simulations.
    Grigorenko BL, Nemukhin AV, Shadrina MS, Topol IA, Burt SK.
    Proteins; 2007 Feb 01; 66(2):456-66. PubMed ID: 17094109
    [Abstract] [Full Text] [Related]

  • 24. Protein under pressure: molecular dynamics simulation of the arc repressor.
    Trzesniak D, Lins RD, van Gunsteren WF.
    Proteins; 2006 Oct 01; 65(1):136-44. PubMed ID: 16917942
    [Abstract] [Full Text] [Related]

  • 25. A molecular dynamics study of acylphosphatase in aggregation-promoting conditions: the influence of trifluoroethanol/water solvent.
    Flöck D, Daidone I, Di Nola A.
    Biopolymers; 2004 Dec 15; 75(6):491-6. PubMed ID: 15526333
    [Abstract] [Full Text] [Related]

  • 26. Hydration of protein-protein interfaces.
    Rodier F, Bahadur RP, Chakrabarti P, Janin J.
    Proteins; 2005 Jul 01; 60(1):36-45. PubMed ID: 15856483
    [Abstract] [Full Text] [Related]

  • 27. Computational design of proteins stereochemically optimized in size, stability, and folding speed.
    Joshi S, Rana S, Wangikar P, Durani S.
    Biopolymers; 2006 Oct 05; 83(2):122-34. PubMed ID: 16683262
    [Abstract] [Full Text] [Related]

  • 28. Dynamics, hydration, and motional averaging of a loop-gated artificial protein cavity: the W191G mutant of cytochrome c peroxidase in water as revealed by molecular dynamics simulations.
    Baron R, McCammon JA.
    Biochemistry; 2007 Sep 18; 46(37):10629-42. PubMed ID: 17718514
    [Abstract] [Full Text] [Related]

  • 29. Molecular dynamics simulations of the hydrophobin SC3 at a hydrophobic/hydrophilic interface.
    Fan H, Wang X, Zhu J, Robillard GT, Mark AE.
    Proteins; 2006 Sep 01; 64(4):863-73. PubMed ID: 16770796
    [Abstract] [Full Text] [Related]

  • 30. Understanding the nonfouling mechanism of surfaces through molecular simulations of sugar-based self-assembled monolayers.
    Hower JC, He Y, Bernards MT, Jiang S.
    J Chem Phys; 2006 Dec 07; 125(21):214704. PubMed ID: 17166037
    [Abstract] [Full Text] [Related]

  • 31. The use of NMR chemical shifts to analyse the MD trajectories: simulation of bovine pancreatic trypsin inhibitor dynamics in water as a test case for solvent influences.
    Busetta B, Picard P, Precigoux G.
    J Pept Sci; 2003 Jul 07; 9(7):450-60. PubMed ID: 12916642
    [Abstract] [Full Text] [Related]

  • 32. 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]

  • 33. Self-organization in protein folding and the hydrophobic interaction.
    Gerstman BS, Chapagain PP.
    J Chem Phys; 2005 Aug 01; 123(5):054901. PubMed ID: 16108687
    [Abstract] [Full Text] [Related]

  • 34. Protein adsorption on the hydrophilic surface of a glassy polymer: a computer simulation study.
    Raffaini G, Ganazzoli F.
    Phys Chem Chem Phys; 2006 Jun 21; 8(23):2765-72. PubMed ID: 16763710
    [Abstract] [Full Text] [Related]

  • 35. MHC-peptide binding is assisted by bound water molecules.
    Petrone PM, Garcia AE.
    J Mol Biol; 2004 Apr 23; 338(2):419-35. PubMed ID: 15066441
    [Abstract] [Full Text] [Related]

  • 36. Insights into activation and RNA binding of trp RNA-binding attenuation protein (TRAP) through all-atom simulations.
    Murtola T, Vattulainen I, Falck E.
    Proteins; 2008 Jun 23; 71(4):1995-2011. PubMed ID: 18186477
    [Abstract] [Full Text] [Related]

  • 37. Cooperative motions of protein and hydration water molecules: molecular dynamics study of scytalone dehydratase.
    Okimoto N, Nakamura T, Suenaga A, Futatsugi N, Hirano Y, Yamaguchi I, Ebisuzaki T.
    J Am Chem Soc; 2004 Oct 13; 126(40):13132-9. PubMed ID: 15469312
    [Abstract] [Full Text] [Related]

  • 38. Interfacial water: a first principles molecular dynamics study of a nanoscale water film on salt.
    Liu LM, Krack M, Michaelides A.
    J Chem Phys; 2009 Jun 21; 130(23):234702. PubMed ID: 19548745
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  • 39. Simulations of macromolecules in protective and denaturing osmolytes: properties of mixed solvent systems and their effects on water and protein structure and dynamics.
    Beck DA, Bennion BJ, Alonso DO, Daggett V.
    Methods Enzymol; 2007 Jun 21; 428():373-96. PubMed ID: 17875430
    [Abstract] [Full Text] [Related]

  • 40. Interfacial energetics of blood plasma and serum adsorption to a hydrophobic self-assembled monolayer surface.
    Krishnan A, Cha P, Liu YH, Allara D, Vogler EA, Hematology at Biomaterial Interfaces Research Group.
    Biomaterials; 2006 Jun 21; 27(17):3187-94. PubMed ID: 16494939
    [Abstract] [Full Text] [Related]

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