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Journal Abstract Search

184 related items for PubMed ID: 15268233

  • 1.
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  • 2. Quantum study of HIV-1 protease-bridge water interaction.
    Duan LL, Tong Y, Mei Y, Zhang QG, Zhang JZ.
    J Chem Phys; 2007 Oct 14; 127(14):145101. PubMed ID: 17935445
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  • 5. Fractionation of peptide with disulfide bond for quantum mechanical calculation of interaction energy with molecules.
    Chen XH, Zhang DW, Zhang JZ.
    J Chem Phys; 2004 Jan 08; 120(2):839-44. PubMed ID: 15267920
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  • 6. Molecular fractionation with conjugated caps density matrix with pairwise interaction correction for protein energy calculation.
    Chen XH, Zhang JZ.
    J Chem Phys; 2006 Jul 28; 125(4):44903. PubMed ID: 16942188
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  • 7. The generalized molecular fractionation with conjugate caps/molecular mechanics method for direct calculation of protein energy.
    He X, Zhang JZ.
    J Chem Phys; 2006 May 14; 124(18):184703. PubMed ID: 16709127
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  • 8. Theoretical method for full ab initio calculation of DNA/RNA-ligand interaction energy.
    Chen XH, Zhang JZ.
    J Chem Phys; 2004 Jun 22; 120(24):11386-91. PubMed ID: 15268172
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  • 9. A new quantum method for electrostatic solvation energy of protein.
    Mei Y, Ji C, Zhang JZ.
    J Chem Phys; 2006 Sep 07; 125(9):094906. PubMed ID: 16965118
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  • 10. Fragment quantum mechanical calculation of proteins and its applications.
    He X, Zhu T, Wang X, Liu J, Zhang JZ.
    Acc Chem Res; 2014 Sep 16; 47(9):2748-57. PubMed ID: 24851673
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  • 11. Fully quantum mechanical energy optimization for protein-ligand structure.
    Xiang Y, Zhang DW, Zhang JZ.
    J Comput Chem; 2004 Sep 16; 25(12):1431-7. PubMed ID: 15224387
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  • 12. New Advance in Computational Chemistry:  Full Quantum Mechanical ab Initio Computation of Streptavidin-Biotin Interaction Energy.
    Zhang DW, Xiang Y, Zhang JZ.
    J Phys Chem B; 2003 Nov 06; 107(44):12039-41. PubMed ID: 26317889
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  • 13. Ab initio quantum mechanical study of the binding energies of human estrogen receptor alpha with its ligands: an application of fragment molecular orbital method.
    Fukuzawa K, Kitaura K, Uebayasi M, Nakata K, Kaminuma T, Nakano T.
    J Comput Chem; 2005 Jan 15; 26(1):1-10. PubMed ID: 15521089
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  • 14. Fully ab initio protein-ligand interaction energies with dispersion corrected density functional theory.
    Antony J, Grimme S.
    J Comput Chem; 2012 Aug 05; 33(21):1730-9. PubMed ID: 22570225
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  • 15. Molecular interactions between estrogen receptor and its ligand studied by the ab initio fragment molecular orbital method.
    Fukuzawa K, Mochizuki Y, Tanaka S, Kitaura K, Nakano T.
    J Phys Chem B; 2006 Aug 17; 110(32):16102-10. PubMed ID: 16898767
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  • 16. VISCANA: visualized cluster analysis of protein-ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening.
    Amari S, Aizawa M, Zhang J, Fukuzawa K, Mochizuki Y, Iwasawa Y, Nakata K, Chuman H, Nakano T.
    J Chem Inf Model; 2006 Aug 17; 46(1):221-30. PubMed ID: 16426058
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  • 17. Ab initio QM/MM simulation of Ag+ in 18.6% aqueous ammonia solution: structure and dynamics investigations.
    Armunanto R, Schwenk CF, Rode BM.
    J Phys Chem A; 2005 May 26; 109(20):4437-41. PubMed ID: 16833778
    [Abstract] [Full Text] [Related]

  • 18. Quantum chemical associations ligand-residue: their role to predict flavonoid binding sites in proteins.
    Rolo-Naranjo A, Codorniu-Hernández E, Ferro N.
    J Chem Inf Model; 2010 May 24; 50(5):924-33. PubMed ID: 20373791
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  • 19. Protein/ligand binding free energies calculated with quantum mechanics/molecular mechanics.
    Gräter F, Schwarzl SM, Dejaegere A, Fischer S, Smith JC.
    J Phys Chem B; 2005 May 26; 109(20):10474-83. PubMed ID: 16852269
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  • 20. Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein.
    Nemoto T, Fedorov DG, Uebayasi M, Kanazawa K, Kitaura K, Komeiji Y.
    Comput Biol Chem; 2005 Dec 26; 29(6):434-9. PubMed ID: 16290169
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