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Journal Abstract Search

439 related items for PubMed ID: 8783394

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  • 23. pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols.
    Riccardi D, Schaefer P, Cui Q.
    J Phys Chem B; 2005 Sep 22; 109(37):17715-33. PubMed ID: 16853267
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  • 28. Improved pKa calculations through flexibility based sampling of a water-dominated interaction scheme.
    Warwicker J.
    Protein Sci; 2004 Oct 22; 13(10):2793-805. PubMed ID: 15388865
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  • 29. An empirical model for electrostatic interactions in proteins incorporating multiple geometry-dependent dielectric constants.
    Wisz MS, Hellinga HW.
    Proteins; 2003 May 15; 51(3):360-77. PubMed ID: 12696048
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  • 32. Electrostatic contributions to protein-protein binding affinities: application to Rap/Raf interaction.
    Muegge I, Schweins T, Warshel A.
    Proteins; 1998 Mar 01; 30(4):407-23. PubMed ID: 9533625
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  • 33. Molecular mechanisms of pH-driven conformational transitions of proteins: insights from continuum electrostatics calculations of acid unfolding.
    Fitch CA, Whitten ST, Hilser VJ, García-Moreno E B.
    Proteins; 2006 Apr 01; 63(1):113-26. PubMed ID: 16400648
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  • 34. Electrostatic contributions to the binding free energy of the lambdacI repressor to DNA.
    Misra VK, Hecht JL, Yang AS, Honig B.
    Biophys J; 1998 Nov 01; 75(5):2262-73. PubMed ID: 9788922
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  • 35. Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies.
    Kamerlin SC, Haranczyk M, Warshel A.
    J Phys Chem B; 2009 Feb 05; 113(5):1253-72. PubMed ID: 19055405
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  • 36. Contributions of the ionizable amino acids to the stability of staphylococcal nuclease.
    Meeker AK, Garcia-Moreno B, Shortle D.
    Biochemistry; 1996 May 21; 35(20):6443-9. PubMed ID: 8639591
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  • 37. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
    Patel S, Mackerell AD, Brooks CL.
    J Comput Chem; 2004 Sep 21; 25(12):1504-14. PubMed ID: 15224394
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  • 38. NMR structure of the extended Myb cognate sequence and modeling studies on specific DNA-Myb complexes.
    Radha PK, Patel PK, Hosur RV.
    Biochemistry; 1998 Jul 14; 37(28):9952-63. PubMed ID: 9665700
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  • 39. Crystal structure of thioredoxin from Escherichia coli at 1.68 A resolution.
    Katti SK, LeMaster DM, Eklund H.
    J Mol Biol; 1990 Mar 05; 212(1):167-84. PubMed ID: 2181145
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