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Journal Abstract Search

156 related items for PubMed ID: 21538330

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  • 4. The dependence of electrostatic solvation energy on dielectric constants in Poisson-Boltzmann calculations.
    Tjong H, Zhou HX.
    J Chem Phys; 2006 Nov 28; 125(20):206101. PubMed ID: 17144745
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  • 6. Energetic decomposition with the generalized-born and Poisson-Boltzmann solvent models: lessons from association of G-protein components.
    Carrascal N, Green DF.
    J Phys Chem B; 2010 Apr 22; 114(15):5096-116. PubMed ID: 20355699
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  • 7. 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
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  • 9. Protein molecular dynamics with electrostatic force entirely determined by a single Poisson-Boltzmann calculation.
    Lu BZ, Chen WZ, Wang CX, Xu XJ.
    Proteins; 2002 Aug 15; 48(3):497-504. PubMed ID: 12112674
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  • 10. Calculating proton uptake/release and binding free energy taking into account ionization and conformation changes induced by protein-inhibitor association: application to plasmepsin, cathepsin D and endothiapepsin-pepstatin complexes.
    Alexov E.
    Proteins; 2004 Aug 15; 56(3):572-84. PubMed ID: 15229889
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  • 11. pH dependence of binding reactions from free energy simulations and macroscopic continuum electrostatic calculations: application to 2'GMP/3'GMP binding to ribonuclease T1 and implications for catalysis.
    MacKerell AD, Sommer MS, Karplus M.
    J Mol Biol; 1995 Apr 07; 247(4):774-807. PubMed ID: 7723031
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  • 14. Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ions.
    Reif MM, Hünenberger PH.
    J Chem Phys; 2011 Apr 14; 134(14):144103. PubMed ID: 21495738
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  • 15. Changes in stability upon charge reversal and neutralization substitution in staphylococcal nuclease are dominated by favorable electrostatic effects.
    Schwehm JM, Fitch CA, Dang BN, García-Moreno E B, Stites WE.
    Biochemistry; 2003 Feb 04; 42(4):1118-28. PubMed ID: 12549934
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  • 16. Impact of a Poisson-Boltzmann electrostatic restraint on protein structures refined at medium resolution.
    Korostelev A, Fenley MO, Chapman MS.
    Acta Crystallogr D Biol Crystallogr; 2004 Oct 04; 60(Pt 10):1786-94. PubMed ID: 15388925
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  • 17. Continuum electrostatic model for the binding of cytochrome c2 to the photosynthetic reaction center from Rhodobacter sphaeroides.
    Miyashita O, Onuchic JN, Okamura MY.
    Biochemistry; 2003 Oct 14; 42(40):11651-60. PubMed ID: 14529275
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  • 19. Electrostatic contribution to the binding stability of protein-protein complexes.
    Dong F, Zhou HX.
    Proteins; 2006 Oct 01; 65(1):87-102. PubMed ID: 16856180
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  • 20. The barrier for proton transport in aquaporins as a challenge for electrostatic models: the role of protein relaxation in mutational calculations.
    Kato M, Pisliakov AV, Warshel A.
    Proteins; 2006 Sep 01; 64(4):829-44. PubMed ID: 16779836
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