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Journal Abstract Search

165 related items for PubMed ID: 19621963

  • 21. Computational study of ligand binding to protein receptors.
    Wembridge P, Robinson H, Novak I.
    Bioorg Chem; 2008 Dec; 36(6):288-94. PubMed ID: 18801553
    [Abstract] [Full Text] [Related]

  • 22. Synchronized conformational fluctuations and binding site desolvation during molecular recognition.
    Jusuf S, Axelsen PH.
    Biochemistry; 2004 Dec 14; 43(49):15446-52. PubMed ID: 15581356
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  • 23. Helix A stabilization precedes amino-terminal lobe activation upon calcium binding to calmodulin.
    Chen B, Lowry DF, Mayer MU, Squier TC.
    Biochemistry; 2008 Sep 02; 47(35):9220-6. PubMed ID: 18690719
    [Abstract] [Full Text] [Related]

  • 24. Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.
    Wang J, Shao Q, Xu Z, Liu Y, Yang Z, Cossins BP, Jiang H, Chen K, Shi J, Zhu W.
    J Phys Chem B; 2014 Jan 09; 118(1):134-43. PubMed ID: 24350625
    [Abstract] [Full Text] [Related]

  • 25. Calculation of the hydration free energy difference between pyridine and its methyl-substituted derivatives by computer simulation methods.
    Partay L, Jedlovszky P, Jancsó G.
    J Phys Chem B; 2005 Apr 28; 109(16):8097-102. PubMed ID: 16851946
    [Abstract] [Full Text] [Related]

  • 26. Reconstruction of protein side-chain conformational free energy surfaces from NMR-derived methyl axis order parameters.
    Krishnan M, Smith JC.
    J Phys Chem B; 2012 Apr 12; 116(14):4124-33. PubMed ID: 22401582
    [Abstract] [Full Text] [Related]

  • 27. Sampling small-scale and large-scale conformational changes in proteins and molecular complexes.
    Yun MR, Mousseau N, Derreumaux P.
    J Chem Phys; 2007 Mar 14; 126(10):105101. PubMed ID: 17362087
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  • 28. Methyl rotational tunneling dynamics of p-xylene confined in a crystalline zeolite host.
    Nair S, Dimeo RM, Neumann DA, Horsewill AJ, Tsapatsis M.
    J Chem Phys; 2004 Sep 08; 121(10):4810-9. PubMed ID: 15332915
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  • 29. Creating conformational entropy by increasing interdomain mobility in ligand binding regulation: a revisit to N-terminal tandem PDZ domains of PSD-95.
    Wang W, Weng J, Zhang X, Liu M, Zhang M.
    J Am Chem Soc; 2009 Jan 21; 131(2):787-96. PubMed ID: 19072119
    [Abstract] [Full Text] [Related]

  • 30. Protein-ligand binding free energy calculation by the Smooth Reaction Path Generation (SRPG) Method.
    Fukunishi Y, Mitomo D, Nakamura H.
    J Chem Inf Model; 2009 Aug 21; 49(8):1944-51. PubMed ID: 19807195
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  • 31. Linear response theory in dihedral angle space for protein structural change upon ligand binding.
    Omori S, Fuchigami S, Ikeguchi M, Kidera A.
    J Comput Chem; 2009 Dec 21; 30(16):2602-8. PubMed ID: 19373827
    [Abstract] [Full Text] [Related]

  • 32. Fragment-based computation of binding free energies by systematic sampling.
    Clark M, Meshkat S, Talbot GT, Carnevali P, Wiseman JS.
    J Chem Inf Model; 2009 Aug 21; 49(8):1901-13. PubMed ID: 19610599
    [Abstract] [Full Text] [Related]

  • 33. Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states.
    Aydeniz Y, Oguz F, Yaman A, Konuklar AS, Dogan I, Aviyente V, Klein RA.
    Org Biomol Chem; 2004 Sep 07; 2(17):2426-36. PubMed ID: 15326522
    [Abstract] [Full Text] [Related]

  • 34. Complex formation between calmodulin and a peptide from the intracellular loop of the gap junction protein connexin43: Molecular conformation and energetics of binding.
    Myllykoski M, Kuczera K, Kursula P.
    Biophys Chem; 2009 Oct 07; 144(3):130-5. PubMed ID: 19716642
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  • 35. Calcium and cargoes as regulators of myosin 5a activity.
    Sellers JR, Thirumurugan K, Sakamoto T, Hammer JA, Knight PJ.
    Biochem Biophys Res Commun; 2008 Apr 25; 369(1):176-81. PubMed ID: 18060865
    [Abstract] [Full Text] [Related]

  • 36. Structural insights into the calmodulin-Munc13 interaction obtained by cross-linking and mass spectrometry.
    Dimova K, Kalkhof S, Pottratz I, Ihling C, Rodriguez-Castaneda F, Liepold T, Griesinger C, Brose N, Sinz A, Jahn O.
    Biochemistry; 2009 Jun 30; 48(25):5908-21. PubMed ID: 19492809
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  • 37. Changes in dynamics of SRE-RNA on binding to the VTS1p-SAM domain studied by 13C NMR relaxation.
    Oberstrass FC, Allain FH, Ravindranathan S.
    J Am Chem Soc; 2008 Sep 10; 130(36):12007-20. PubMed ID: 18698768
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  • 38. Origin of rotational barriers of the N-N bond in hydrazine: NBO analysis.
    Song JW, Lee HJ, Choi YS, Yoon CJ.
    J Phys Chem A; 2006 Feb 09; 110(5):2065-71. PubMed ID: 16451044
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  • 39. Binding of calcium and other metal ions to the EF-hand loops of calmodulin studied by quantum chemical calculations and molecular dynamics simulations.
    Lepsík M, Field MJ.
    J Phys Chem B; 2007 Aug 23; 111(33):10012-22. PubMed ID: 17661504
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  • 40. Torsion angle preference and energetics of small-molecule ligands bound to proteins.
    Hao MH, Haq O, Muegge I.
    J Chem Inf Model; 2007 Aug 23; 47(6):2242-52. PubMed ID: 17880058
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