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Journal Abstract Search

164 related items for PubMed ID: 15268172

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. 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
    [Abstract] [Full Text] [Related]

  • 5. Quantum mechanical map for protein-ligand binding with application to beta-trypsin/benzamidine complex.
    Zhang DW, Xiang Y, Gao AM, Zhang JZ.
    J Chem Phys; 2004 Jan 15; 120(3):1145-8. PubMed ID: 15268233
    [Abstract] [Full Text] [Related]

  • 6. An efficient approach for ab initio energy calculation of biopolymers.
    Chen X, Zhang Y, Zhang JZ.
    J Chem Phys; 2005 May 08; 122(18):184105. PubMed ID: 15918692
    [Abstract] [Full Text] [Related]

  • 7. 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
    [Abstract] [Full Text] [Related]

  • 8. 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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  • 13. Non-Watson-Crick base pairing in RNA. quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family.
    Sponer JE, Spacková N, Kulhanek P, Leszczynski J, Sponer J.
    J Phys Chem A; 2005 Mar 17; 109(10):2292-301. PubMed ID: 16838999
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  • 14. 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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  • 15. 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
    [Abstract] [Full Text] [Related]

  • 16. The electronic structure of the four nucleotide bases in DNA, of their stacks, and of their homopolynucleotides in the absence and presence of water.
    Ladik J, Bende A, Bogár F.
    J Chem Phys; 2008 Mar 14; 128(10):105101. PubMed ID: 18345925
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  • 17. Stabilization of radical anion states of nucleobases in DNA.
    Voityuk AA.
    Phys Chem Chem Phys; 2009 Dec 07; 11(45):10608-13. PubMed ID: 20145805
    [Abstract] [Full Text] [Related]

  • 18. Free energy perturbation study of water dimer dissociation kinetics.
    Ming Y, Lai G, Tong C, Wood RH, Doren DJ.
    J Chem Phys; 2004 Jul 08; 121(2):773-7. PubMed ID: 15260604
    [Abstract] [Full Text] [Related]

  • 19. Trans Hoogsteen/sugar edge base pairing in RNA. Structures, energies, and stabilities from quantum chemical calculations.
    Mládek A, Sharma P, Mitra A, Bhattacharyya D, Sponer J, Sponer JE.
    J Phys Chem B; 2009 Feb 12; 113(6):1743-55. PubMed ID: 19152254
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  • 20. Molecular recognition of Watson-Crick base-pair reversals in triple-helix formation: use of nonnatural oligonucleotide bases.
    Mohan V, Cheng YK, Marlow GE, Pettitt BM.
    Biopolymers; 1993 Sep 12; 33(9):1317-25. PubMed ID: 8400029
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