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Journal Abstract Search

377 related items for PubMed ID: 18080307

  • 1. Adhesion of protein residues to substituted (111) diamond surfaces: an insight from density functional theory and classical molecular dynamics simulations.
    Borisenko KB, Reavy HJ, Zhao Q, Abel EW.
    J Biomed Mater Res A; 2008 Sep 15; 86(4):1113-21. PubMed ID: 18080307
    [Abstract] [Full Text] [Related]

  • 2. Molecular hydrophobic attraction and ion-specific effects studied by molecular dynamics.
    Horinek D, Serr A, Bonthuis DJ, Boström M, Kunz W, Netz RR.
    Langmuir; 2008 Feb 19; 24(4):1271-83. PubMed ID: 18220430
    [Abstract] [Full Text] [Related]

  • 3. Are solvation free energies of homogeneous helical peptides additive?
    Staritzbichler R, Gu W, Helms V.
    J Phys Chem B; 2005 Oct 13; 109(40):19000-7. PubMed ID: 16853446
    [Abstract] [Full Text] [Related]

  • 4. Polypeptide friction and adhesion on hydrophobic and hydrophilic surfaces: a molecular dynamics case study.
    Serr A, Horinek D, Netz RR.
    J Am Chem Soc; 2008 Sep 17; 130(37):12408-13. PubMed ID: 18712864
    [Abstract] [Full Text] [Related]

  • 5. Nature of molecular interactions of peptides with gold, palladium, and Pd-Au bimetal surfaces in aqueous solution.
    Heinz H, Farmer BL, Pandey RB, Slocik JM, Patnaik SS, Pachter R, Naik RR.
    J Am Chem Soc; 2009 Jul 22; 131(28):9704-14. PubMed ID: 19552440
    [Abstract] [Full Text] [Related]

  • 6. Molecular dynamics simulations of peptide-surface interactions.
    Raut VP, Agashe MA, Stuart SJ, Latour RA.
    Langmuir; 2005 Feb 15; 21(4):1629-39. PubMed ID: 15697318
    [Abstract] [Full Text] [Related]

  • 7. Interfacial water at hydrophobic and hydrophilic surfaces: slip, viscosity, and diffusion.
    Sendner C, Horinek D, Bocquet L, Netz RR.
    Langmuir; 2009 Sep 15; 25(18):10768-81. PubMed ID: 19591481
    [Abstract] [Full Text] [Related]

  • 8. Determination of atomic desolvation energies from the structures of crystallized proteins.
    Zhang C, Vasmatzis G, Cornette JL, DeLisi C.
    J Mol Biol; 1997 Apr 04; 267(3):707-26. PubMed ID: 9126848
    [Abstract] [Full Text] [Related]

  • 9. Direct observation of salt effects on molecular interactions through explicit-solvent molecular dynamics simulations: differential effects on electrostatic and hydrophobic interactions and comparisons to Poisson-Boltzmann theory.
    Thomas AS, Elcock AH.
    J Am Chem Soc; 2006 Jun 21; 128(24):7796-806. PubMed ID: 16771493
    [Abstract] [Full Text] [Related]

  • 10. Comparison of implicit solvent models for the simulation of protein-surface interactions.
    Sun Y, Latour RA.
    J Comput Chem; 2006 Dec 21; 27(16):1908-22. PubMed ID: 17019723
    [Abstract] [Full Text] [Related]

  • 11. Shield effect of silicate on adsorption of proteins onto silicon-doped hydroxyapatite (100) surface.
    Chen X, Wu T, Wang Q, Shen JW.
    Biomaterials; 2008 May 21; 29(15):2423-32. PubMed ID: 18299149
    [Abstract] [Full Text] [Related]

  • 12. Exhaustive mutagenesis in silico: multicoordinate free energy calculations on proteins and peptides.
    Pitera JW, Kollman PA.
    Proteins; 2000 Nov 15; 41(3):385-97. PubMed ID: 11025549
    [Abstract] [Full Text] [Related]

  • 13. Influence of interaction energy between Si-doped diamond-like carbon films and bacteria on bacterial adhesion under flow conditions.
    Shao W, Zhao Q, Abel EW, Bendavid A.
    J Biomed Mater Res A; 2010 Apr 15; 93(1):133-9. PubMed ID: 19536831
    [Abstract] [Full Text] [Related]

  • 14. Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptide.
    Valdés H, Klusák V, Pitonák M, Exner O, Starý I, Hobza P, Rulísek L.
    J Comput Chem; 2008 Apr 30; 29(6):861-70. PubMed ID: 17963233
    [Abstract] [Full Text] [Related]

  • 15. GolP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water.
    Iori F, Di Felice R, Molinari E, Corni S.
    J Comput Chem; 2009 Jul 15; 30(9):1465-76. PubMed ID: 19037859
    [Abstract] [Full Text] [Related]

  • 16. 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]

  • 17. Role of projectile and surface temperatures in the energy transfer dynamics of protonated peptide ion collisions with the diamond {111} surface.
    Rahaman A, Collins O, Scott C, Wang J, Hase WL.
    J Phys Chem A; 2006 Jul 13; 110(27):8418-22. PubMed ID: 16821824
    [Abstract] [Full Text] [Related]

  • 18. 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]

  • 19. Free energy profiles of amino acid side chain analogs near water-vapor interface obtained via MD simulations.
    Shaytan AK, Ivanov VA, Shaitan KV, Khokhlov AR.
    J Comput Chem; 2010 Jan 15; 31(1):204-16. PubMed ID: 19421988
    [Abstract] [Full Text] [Related]

  • 20. Force field for molecular dynamics studies of glycine/water mixtures in crystal/solution environments.
    Gnanasambandam S, Hu Z, Jiang J, Rajagopalan R.
    J Phys Chem B; 2009 Jan 22; 113(3):752-8. PubMed ID: 19115812
    [Abstract] [Full Text] [Related]

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