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Journal Abstract Search

184 related items for PubMed ID: 15267920

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  • 2. 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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  • 3. 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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  • 7. 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
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  • 10. Molecular caps for full quantum mechanical computation of peptide-water interaction energy.
    Zhang DW, Chen XH, Zhang JZ.
    J Comput Chem; 2003 Nov 30; 24(15):1846-52. PubMed ID: 14515367
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  • 11. Treatment of dilute clusters of methanol and water by ab initio quantum mechanical calculations.
    Ruckenstein E, Shulgin IL, Tilson JL.
    J Phys Chem A; 2005 Feb 10; 109(5):807-15. PubMed ID: 16838951
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  • 12. Ab initio and QM/MM study of electron addition on the disulfide bond in thioredoxin.
    Rickard GA, Bergès J, Houèe-Levin C, Rauk A.
    J Phys Chem B; 2008 May 08; 112(18):5774-87. PubMed ID: 18447348
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  • 13. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA, Jagielska A, Scheraga HA.
    J Phys Chem B; 2006 Mar 16; 110(10):5025-44. PubMed ID: 16526746
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  • 14. 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
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  • 15. Conformational simulations of aqueous solvated alpha-conotoxin GI and its single disulfide analogues using a polarizable force field model.
    Jiang N, Ma J.
    J Phys Chem A; 2008 Oct 09; 112(40):9854-67. PubMed ID: 18788721
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  • 17. Multicanonical ab inito QM/MM molecular dynamics simulation of a peptide in an aqueous environment.
    Jono R, Watanabe Y, Shimizu K, Terada T.
    J Comput Chem; 2010 Apr 30; 31(6):1168-75. PubMed ID: 19847783
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  • 18. Quantum computational analysis for drug resistance of HIV-1 reverse transcriptase to nevirapine through point mutations.
    He X, Mei Y, Xiang Y, Zhang DW, Zhang JZ.
    Proteins; 2005 Nov 01; 61(2):423-32. PubMed ID: 16114038
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