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Journal Abstract Search

430 related items for PubMed ID: 19941322

  • 1. Molecular recognition of RNA: challenges for modelling interactions and plasticity.
    Fulle S, Gohlke H.
    J Mol Recognit; 2010; 23(2):220-31. PubMed ID: 19941322
    [Abstract] [Full Text] [Related]

  • 2. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):275-80. PubMed ID: 17554853
    [Abstract] [Full Text] [Related]

  • 3. Accuracy assessment of protein-based docking programs against RNA targets.
    Li Y, Shen J, Sun X, Li W, Liu G, Tang Y.
    J Chem Inf Model; 2010 Jun 28; 50(6):1134-46. PubMed ID: 20481574
    [Abstract] [Full Text] [Related]

  • 4. Calculation of the standard binding free energy of sparsomycin to the ribosomal peptidyl-transferase P-site using molecular dynamics simulations with restraining potentials.
    Ge X, Roux B.
    J Mol Recognit; 2010 Jun 28; 23(2):128-41. PubMed ID: 20151411
    [Abstract] [Full Text] [Related]

  • 5. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 28; 12 Suppl 1():S101-18. PubMed ID: 17935268
    [Abstract] [Full Text] [Related]

  • 6. Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energies.
    Bryce RA.
    Future Med Chem; 2011 Apr 28; 3(6):683-98. PubMed ID: 21554075
    [Abstract] [Full Text] [Related]

  • 7. Modeling of the water network at protein-RNA interfaces.
    Li Y, Sutch BT, Bui HH, Gallaher TK, Haworth IS.
    J Chem Inf Model; 2011 Jun 27; 51(6):1347-52. PubMed ID: 21612274
    [Abstract] [Full Text] [Related]

  • 8. Physics-based methods for studying protein-ligand interactions.
    Huang N, Jacobson MP.
    Curr Opin Drug Discov Devel; 2007 May 27; 10(3):325-31. PubMed ID: 17554859
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. A semiempirical free energy force field with charge-based desolvation.
    Huey R, Morris GM, Olson AJ, Goodsell DS.
    J Comput Chem; 2007 Apr 30; 28(6):1145-52. PubMed ID: 17274016
    [Abstract] [Full Text] [Related]

  • 11. FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.
    Taylor RD, Jewsbury PJ, Essex JW.
    J Comput Chem; 2003 Oct 30; 24(13):1637-56. PubMed ID: 12926007
    [Abstract] [Full Text] [Related]

  • 12. Strategies for the design of RNA-binding small molecules.
    Aboul-ela F.
    Future Med Chem; 2010 Jan 30; 2(1):93-119. PubMed ID: 21426048
    [Abstract] [Full Text] [Related]

  • 13. Structural parameterization of the binding enthalpy of small ligands.
    Luque I, Freire E.
    Proteins; 2002 Nov 01; 49(2):181-90. PubMed ID: 12210999
    [Abstract] [Full Text] [Related]

  • 14. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H, Buning C, Rarey M, Lengauer T.
    J Mol Biol; 2001 Apr 27; 308(2):377-95. PubMed ID: 11327774
    [Abstract] [Full Text] [Related]

  • 15. HiRE-RNA: a high resolution coarse-grained energy model for RNA.
    Pasquali S, Derreumaux P.
    J Phys Chem B; 2010 Sep 23; 114(37):11957-66. PubMed ID: 20795690
    [Abstract] [Full Text] [Related]

  • 16. A molecular dynamics study on binding recognition between several 4,5 and 4,6-linked aminoglycosides with A-site RNA.
    Chen SY, Lin TH.
    J Mol Recognit; 2010 Sep 23; 23(5):423-34. PubMed ID: 20029836
    [Abstract] [Full Text] [Related]

  • 17. Incorporating receptor flexibility in the molecular design of protein interfaces.
    Li L, Liang S, Pilcher MM, Meroueh SO.
    Protein Eng Des Sel; 2009 Sep 23; 22(9):575-86. PubMed ID: 19643976
    [Abstract] [Full Text] [Related]

  • 18. Minimum sequence requirements for selective RNA-ligand binding: a molecular mechanics algorithm using molecular dynamics and free-energy techniques.
    Anderson PC, Mecozzi S.
    J Comput Chem; 2006 Nov 15; 27(14):1631-40. PubMed ID: 16900493
    [Abstract] [Full Text] [Related]

  • 19. Nonequilibrium, multiple-timescale simulations of ligand-receptor interactions in structured protein systems.
    Zhang Y, Peters MH, Li Y.
    Proteins; 2003 Aug 15; 52(3):339-48. PubMed ID: 12866048
    [Abstract] [Full Text] [Related]

  • 20. DynaDock: A new molecular dynamics-based algorithm for protein-peptide docking including receptor flexibility.
    Antes I.
    Proteins; 2010 Apr 15; 78(5):1084-104. PubMed ID: 20017216
    [Abstract] [Full Text] [Related]

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