docking calculation:

genetic algotrithm
translations, rotation, torsions
fitness function
conformation: contain info about spring type
autodock4 energy
Binding free energy : deltaG
deltaG = deltaH -tdeltaS - enthalpy, entropy

MMGBSA - binding energy calc

usefull

boot strap method

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hf..
a chain - wander wals- color, f chain- licorese- residue

corona peak protein -ace protein hfhez