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268 related items for PubMed ID: 16853446

  • 1. 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]

  • 2. Amino acid conformational preferences and solvation of polar backbone atoms in peptides and proteins.
    Avbelj F.
    J Mol Biol; 2000 Jul 28; 300(5):1335-59. PubMed ID: 10903873
    [Abstract] [Full Text] [Related]

  • 3. Calculation of the free energy of solvation for neutral analogs of amino acid side chains.
    Villa A, Mark AE.
    J Comput Chem; 2002 Apr 15; 23(5):548-53. PubMed ID: 11948581
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. Hydration free energies of amino acids: why side chain analog data are not enough.
    König G, Boresch S.
    J Phys Chem B; 2009 Jul 02; 113(26):8967-74. PubMed ID: 19507836
    [Abstract] [Full Text] [Related]

  • 6. Solvation energies of amino acid side chains and backbone in a family of host-guest pentapeptides.
    Wimley WC, Creamer TP, White SH.
    Biochemistry; 1996 Apr 23; 35(16):5109-24. PubMed ID: 8611495
    [Abstract] [Full Text] [Related]

  • 7. FACTS: Fast analytical continuum treatment of solvation.
    Haberthür U, Caflisch A.
    J Comput Chem; 2008 Apr 15; 29(5):701-15. PubMed ID: 17918282
    [Abstract] [Full Text] [Related]

  • 8. Solvation model based on order parameters and a fast sampling method for the calculation of the solvation free energies of peptides.
    Gu C, Lustig S, Trout BL.
    J Phys Chem B; 2006 Jan 26; 110(3):1476-84. PubMed ID: 16471699
    [Abstract] [Full Text] [Related]

  • 9. Structural characterization of alpha-helices of implicitly solvated poly-alanine.
    Couch VA, Cheng N, Nambiar K, Fink W.
    J Phys Chem B; 2006 Feb 23; 110(7):3410-9. PubMed ID: 16494355
    [Abstract] [Full Text] [Related]

  • 10. A solvent model for simulations of peptides in bilayers. I. Membrane-promoting alpha-helix formation.
    Efremov RG, Nolde DE, Vergoten G, Arseniev AS.
    Biophys J; 1999 May 23; 76(5):2448-59. PubMed ID: 10233062
    [Abstract] [Full Text] [Related]

  • 11. Thermodynamic model of secondary structure for alpha-helical peptides and proteins.
    Lomize AL, Mosberg HI.
    Biopolymers; 1997 Aug 23; 42(2):239-69. PubMed ID: 9235002
    [Abstract] [Full Text] [Related]

  • 12. Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy.
    Guvench O, Weiser J, Shenkin P, Kolossváry I, Still WC.
    J Comput Chem; 2002 Jan 30; 23(2):214-21. PubMed ID: 11924735
    [Abstract] [Full Text] [Related]

  • 13. Position-resolved free energy of solvation for amino acids in lipid membranes from molecular dynamics simulations.
    Johansson AC, Lindahl E.
    Proteins; 2008 Mar 30; 70(4):1332-44. PubMed ID: 17876818
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. Molecular dynamics simulation of folding of a short helical peptide with many charged residues.
    Wei CC, Ho MH, Wang WH, Sun YC.
    J Phys Chem B; 2005 Oct 27; 109(42):19980-6. PubMed ID: 16853583
    [Abstract] [Full Text] [Related]

  • 16. Force field evaluation for biomolecular simulation: free enthalpies of solvation of polar and apolar compounds in various solvents.
    Geerke DP, van Gunsteren WF.
    Chemphyschem; 2006 Mar 13; 7(3):671-8. PubMed ID: 16514695
    [Abstract] [Full Text] [Related]

  • 17. Binding of antifusion peptides with HIVgp41 from molecular dynamics simulations: quantitative correlation with experiment.
    Strockbine B, Rizzo RC.
    Proteins; 2007 May 15; 67(3):630-42. PubMed ID: 17335007
    [Abstract] [Full Text] [Related]

  • 18. Membrane adsorption, folding, insertion and translocation of synthetic trans-membrane peptides.
    Ulmschneider MB, Ulmschneider JP.
    Mol Membr Biol; 2008 Apr 15; 25(3):245-57. PubMed ID: 18428040
    [Abstract] [Full Text] [Related]

  • 19. Electrostatic solvation free energy of amino acid side chain analogs: implications for the validity of electrostatic linear response in water.
    Lin B, Pettitt BM.
    J Comput Chem; 2011 Apr 15; 32(5):878-85. PubMed ID: 20941733
    [Abstract] [Full Text] [Related]

  • 20. Conformational preferences of a short Aib/Ala-based water-soluble peptide as a function of temperature.
    Banerjee R, Chattopadhyay S, Basu G.
    Proteins; 2009 Jul 15; 76(1):184-200. PubMed ID: 19137603
    [Abstract] [Full Text] [Related]

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