1 nm

-7 Kcal/mol [19] 23328.2 Dalton (for Human leukocyte elastase)

6047.9 Dalton (for Turkey ovomucoid third domain) 1.44 g/cm3 (for Turkey ovomucoid third domain [23])

Number of docking points within threshold distance

Fig. 11. Qavg against number of dock- Fig. 12. Average Time against At for ing points within threshold distance different ns

Estimation of davg. Fig 11 plots 0lavg, (3 < i < 8), against the number of docking points coming within threshold distance of y = 2 x 10~10 m. Note that instead of averaging out the (""') possible cases of choosing i docking points, we assumed that only i contiguous points can come within a distance of 7. This is because, for the other combinations, the angle was too small making the corresponding 0lavg too low. Thus, Eq 26 was modified as follows to generate the results:

0 0

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