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from __future__ import division | |
import numpy as np | |
import IPython as ip | |
import matplotlib.pyplot as pp | |
import warnings | |
from collections import namedtuple | |
import scipy.optimize | |
#symbolic algebra | |
import theano |
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import math | |
# deltaG = -RT*ln(Kd) | |
def Kd_to_dG(Kd): | |
Kd = float(Kd) | |
# R T | |
dG = -0.0019872036*298*math.log(Kd) | |
print('{} Kcal/mol'.format(round(dG, 2))) | |
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