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Journal Abstract Search

415 related items for PubMed ID: 17913525

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  • 2. Efficient implementation of three-dimensional reference interaction site model self-consistent-field method: application to solvatochromic shift calculations.
    Minezawa N, Kato S.
    J Chem Phys; 2007 Feb 07; 126(5):054511. PubMed ID: 17302489
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  • 4. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.
    Li Q, Gusarov S, Evoy S, Kovalenko A.
    J Phys Chem B; 2009 Jul 23; 113(29):9958-67. PubMed ID: 19545155
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  • 6. A highly parallelizable integral equation theory for three dimensional solvent distribution function: application to biomolecules.
    Yokogawa D, Sato H, Imai T, Sakaki S.
    J Chem Phys; 2009 Feb 14; 130(6):064111. PubMed ID: 19222271
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  • 7. Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional package.
    Gusarov S, Ziegler T, Kovalenko A.
    J Phys Chem A; 2006 May 11; 110(18):6083-90. PubMed ID: 16671679
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  • 8. Coupled reference interaction site model/simulation approach for thermochemistry of solvation: theory and prospects.
    Freedman H, Truong TN.
    J Chem Phys; 2004 Aug 01; 121(5):2187-98. PubMed ID: 15260773
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  • 9. An MM/3D-RISM approach for ligand binding affinities.
    Genheden S, Luchko T, Gusarov S, Kovalenko A, Ryde U.
    J Phys Chem B; 2010 Jul 01; 114(25):8505-16. PubMed ID: 20524650
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  • 12. Quantum chemistry in solution by combining 3D integral equation theory with a cluster embedding approach.
    Kloss T, Heil J, Kast SM.
    J Phys Chem B; 2008 Apr 10; 112(14):4337-43. PubMed ID: 18341326
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  • 15. Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory.
    Imai T, Kovalenko A, Hirata F.
    J Phys Chem B; 2005 Apr 14; 109(14):6658-65. PubMed ID: 16851748
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  • 16. Comparative study on solvation free energy expressions in reference interaction site model integral equation theory.
    Sato K, Chuman H, Ten-no S.
    J Phys Chem B; 2005 Sep 15; 109(36):17290-5. PubMed ID: 16853207
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  • 17. An integral equation theory for inhomogeneous molecular fluids: the reference interaction site model approach.
    Ishizuka R, Chong SH, Hirata F.
    J Chem Phys; 2008 Jan 21; 128(3):034504. PubMed ID: 18205507
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  • 20. Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction.
    Chuev GN, Fedorov MV, Chiodo S, Russo N, Sicilia E.
    J Comput Chem; 2008 Nov 15; 29(14):2406-15. PubMed ID: 18452125
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