estimate {smoke}

Estimate initial kinetic parameters

Description

Estimate the initial kinetic parameters, kOn0 and kOff0, and save in the returned "Bli" object. These parameters can serve as the starting value in the next step, fitKinetics, to calculate the kinetics binding model of the small-molecule under investigation.

Usage

estimate(obj)

Arguments

obj

obj of "Bli" class

Value

S4 object of "Bli" class

Note

kOn0 and kOff0 can also be input manually with the setter functions, kOn0<- and kOff0<-.

Author(s)

Qingan Sun, Xiaojun Li, James C Sacchettini

Maintainer: Qingan Sun <[e-mail]>

References

Sun Q, Li X, Perez LM, Shi W, Zhang Y, Sacchettini JC (2020). “The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.” Nature Communications, 11(339).

Examples

bli1 <- alignLoad(bli, 180, 780)
bli2 <- doubleBlank(bli1)
bli3 <- baseline(bli2, 1080, 1260)
bli4 <- estimate(bli3)