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  • Tablas Autodock

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    Paula Delgado
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    tablas autodock

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    tablas autodock

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as XLSX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    13 views4 pages

    Tablas Autodock

    Uploaded by

    Paula Delgado
    tablas autodock

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as XLSX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    of 4

    c

    binding energy
    intermolecular energy
    vdw_hb_desolv energy
    electrostatic energy
    total energy
    torsional energy
    unbound energy

    1
    527.14
    -2.71
    -0.06
    -2.65
    -19.43
    537.83
    -11.44

    2
    511
    -18.87
    -8.57
    -10.31
    -19.4
    537.83
    -11.44

    3
    510.29
    -19.78
    -9.05
    -10.73
    -19.2
    537.83
    -11.44

    4
    515.2
    -16.69
    -4.08
    -12.6
    17.38
    537.83
    -11.44

    5
    514.05
    -16.43
    -7.73
    -8.7
    -18.79
    537.83
    -11.44

    6
    511.4
    -19.29
    -8.7
    -10.59
    -18.59
    537.83
    -11.44

    7
    513.27
    -18.14
    -8.77
    -9.39
    -17.84
    537.83
    -11.44

    8
    511.97
    -18.7
    -6.72
    -11.98
    -18.6
    537.83
    -11.44

    9
    512.24
    -18.07
    -8.66
    -9.42
    -18.96
    537.83
    -11.44

    binding energy
    binding energy
    binding energy

    527.13
    511 510.29 549.96 514.05 511.39 513.29 511.97 512.24 519.06
    -0.738 -16.868 -17.578 22.0916 -13.818 -16.478 -14.578 -15.898 -15.628 -8.8084
    -1.154 -17.284 -17.994 21.6756 -14.234 -16.894 -14.994 -16.314 -16.044 -9.2244

    G int ermolecula r total(int ernal ) torsional unbound

    10
    519.06
    -11.58
    -4.3
    -7.28
    -18.63
    537.83
    -11.44

    c
    binding energy
    intermolecular energy
    vdw_hb_desolv energy
    electrostatic energy
    total energy
    torsional energy
    unbound energy

    binding energy
    binding energy
    binding energy

    1
    503.37
    -17.93
    -6.49
    -11.41
    -17.25
    537.83
    -0.71

    2
    502.22
    -19.52
    -8.49
    -11
    -16.81
    537.83
    -0.71

    3
    504.55
    -17.1
    -7.55
    -9.53
    -16.9
    537.83
    -0.71

    4
    504.9
    -15.67
    -2.75
    -12.9
    -17.97
    537.83
    -0.71

    5
    505.35
    -15.45
    -7.09
    -8.33
    -17.75
    537.83
    -0.71

    6
    503.72
    -16.83
    -7.4
    -9.4
    -18
    537.83
    -0.71

    7
    513.27
    -18.14
    -8.77
    -9.39
    -17.84
    537.83
    -0.71

    8
    505.33
    -16.26
    -3.91
    -12.32
    -16.95
    537.83
    -0.71

    503.36
    502.21
    504.54
    504.9
    505.34
    503.71
    502.56
    505.33
    -24.508 -25.6584 -23.3284 -22.968 -22.5284 -24.1584 -25.3084 -22.5384
    -24.924 -26.0744 -23.7444 -23.384 -22.9444 -24.5744 -25.7244 -22.9544

    9
    503.13
    -18.1
    -8.69
    -9.37
    -17.32
    537.83
    -0.71

    10
    509.62
    -11.68
    0.89
    -12.54
    -17.25
    537.83
    -0.71

    503.12 509.61
    -24.7484 -18.258
    -25.1644 -18.674

    binding energy
    intermolecular energy
    vdw_hb_desolv energy
    electrostatic energy
    total energy
    torsional energy
    unbound energy

    CagA Rigido CagA Flexible


    510.29
    502.22
    -19.78
    -19.52
    -9.05
    -8.49
    -10.73
    -11
    -19.2
    -16.81
    537.83
    537.83
    -11.44
    -0.71

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