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conversion #

Functions for converting between free energy and dissociation constant.

calc_k #

calc_k(dg: float, temp: float = 298.15) -> float

Calculate the dissociation constant (Kd) from the standard free energy of binding (ΔG).

Parameters:

  • dg (float) –

    Standard free energy of binding in kcal/mol.

  • temp (float, default: 298.15 ) –

    Temperature in Kelvin. Default is 298.15 K.

Returns:

  • float –

    Dissociation constant Kd in M.

Source code in kcalc/conversion.py 
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def calc_k(dg: float, temp: float = 298.15) -> float:
    """
    Calculate the dissociation constant (Kd) from the standard free energy of binding (ΔG).

    Args:
        dg (float): Standard free energy of binding in kcal/mol.
        temp (float, optional): Temperature in Kelvin. Default is 298.15 K.

    Returns:
        float: Dissociation constant Kd in M.
    """
    return _np.exp(dg * 1000 / ((_const.R / _const.calorie) * temp))