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Journal Abstract Search

166 related items for PubMed ID: 22222456

  • 41. Multiple solvent crystal structures: probing binding sites, plasticity and hydration.
    Mattos C, Bellamacina CR, Peisach E, Pereira A, Vitkup D, Petsko GA, Ringe D.
    J Mol Biol; 2006 Apr 14; 357(5):1471-82. PubMed ID: 16488429
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  • 42. The limit of accuracy of protein modeling: influence of crystal packing on protein structure.
    Eyal E, Gerzon S, Potapov V, Edelman M, Sobolev V.
    J Mol Biol; 2005 Aug 12; 351(2):431-42. PubMed ID: 16005885
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  • 43. Binding free energy contributions of interfacial waters in HIV-1 protease/inhibitor complexes.
    Lu Y, Yang CY, Wang S.
    J Am Chem Soc; 2006 Sep 13; 128(36):11830-9. PubMed ID: 16953623
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  • 44. Structural and dynamic roles of permanent water molecules in ligand molecular recognition by chicken liver bile acid binding protein.
    Ricchiuto P, Rocco AG, Gianazza E, Corrada D, Beringhelli T, Eberini I.
    J Mol Recognit; 2008 Sep 13; 21(5):348-54. PubMed ID: 18654997
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  • 45. LigEvolutioner, a new strategy for modification and optimization of lead compounds in receptor/ligand complexes.
    Zhou P, Tian F, Shang Z.
    Chem Biol Drug Des; 2008 Dec 13; 72(6):525-32. PubMed ID: 19090919
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  • 46. Multiple solvent crystal structures of ribonuclease A: an assessment of the method.
    Dechene M, Wink G, Smith M, Swartz P, Mattos C.
    Proteins; 2009 Sep 13; 76(4):861-81. PubMed ID: 19291738
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  • 47. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.
    Floriano WB, Vaidehi N, Zamanakos G, Goddard WA.
    J Med Chem; 2004 Jan 01; 47(1):56-71. PubMed ID: 14695820
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  • 48. On the contribution of water-mediated interactions to protein-complex stability.
    Reichmann D, Phillip Y, Carmi A, Schreiber G.
    Biochemistry; 2008 Jan 22; 47(3):1051-60. PubMed ID: 18161993
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  • 49. X-ray crystallography in drug discovery.
    Carvalho AL, Trincão J, Romão MJ.
    Methods Mol Biol; 2009 Jan 22; 572():31-56. PubMed ID: 20694684
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  • 50. High-throughput X-ray crystallography for drug discovery.
    Blundell TL, Patel S.
    Curr Opin Pharmacol; 2004 Oct 22; 4(5):490-6. PubMed ID: 15351354
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  • 51. Propensities of polar and aromatic amino acids in noncanonical interactions: nonbonded contacts analysis of protein-ligand complexes in crystal structures.
    Imai YN, Inoue Y, Yamamoto Y.
    J Med Chem; 2007 Mar 22; 50(6):1189-96. PubMed ID: 17315854
    [Abstract] [Full Text] [Related]

  • 52. Evaluating Free Energies of Binding and Conservation of Crystallographic Waters Using SZMAP.
    Bayden AS, Moustakas DT, Joseph-McCarthy D, Lamb ML.
    J Chem Inf Model; 2015 Aug 24; 55(8):1552-65. PubMed ID: 26176600
    [Abstract] [Full Text] [Related]

  • 53. N-H...O, O-H...O, and C-H...O hydrogen bonds in protein-ligand complexes: strong and weak interactions in molecular recognition.
    Sarkhel S, Desiraju GR.
    Proteins; 2004 Feb 01; 54(2):247-59. PubMed ID: 14696187
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  • 54. Thermodynamic resolution: how do errors in modeled protein structures affect binding affinity predictions?
    Singh MK, Dominy BN.
    Proteins; 2010 May 15; 78(7):1613-7. PubMed ID: 20201067
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  • 55. The role of water in computational and experimental derivation of binding thermodynamics in SH2 domains.
    Geroult S, Virdee S, Waksman G.
    Chem Biol Drug Des; 2006 Jan 15; 67(1):38-45. PubMed ID: 16492147
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  • 56. X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
    Burkhard P, Taylor P, Walkinshaw MD.
    J Mol Biol; 2000 Jan 28; 295(4):953-62. PubMed ID: 10656803
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  • 57. High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site.
    Narayana N.
    Acta Crystallogr D Biol Crystallogr; 2006 Jul 28; 62(Pt 7):695-706. PubMed ID: 16790925
    [Abstract] [Full Text] [Related]

  • 58. Automated protein-ligand crystallography for structure-based drug design.
    Mooij WT, Hartshorn MJ, Tickle IJ, Sharff AJ, Verdonk ML, Jhoti H.
    ChemMedChem; 2006 Aug 28; 1(8):827-38. PubMed ID: 16902937
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  • 59. Testing inhomogeneous solvation theory in structure-based ligand discovery.
    Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK.
    Proc Natl Acad Sci U S A; 2017 Aug 15; 114(33):E6839-E6846. PubMed ID: 28760952
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  • 60. A medicinal chemistry perspective on structure-based drug design and development.
    Maddaford SP.
    Methods Mol Biol; 2012 Aug 15; 841():351-81. PubMed ID: 22222460
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