library(conveniencefunctions)
f <- NULL %>% addReaction("A", "B", "kcat*A*E/(Km + A)", "Activation") %>% addReaction("B", "", "k2*B", "Degradation") %>% addReaction("E", "", "0", "Added Enzyme") %>% as.eqnvec() events <- eventlist(var = "E", time = 2, value = "E_add", method = "add") x <- odemodel(f, events = events) %>% Xs g <- Y(c(Bobs = "s1*B"), x) covtable <- data.frame(membrane = rep(1:2, each = 4), dose = rep(c(0,0.1,1,10), 2), line = rep(paste0("line", 1:3), each = 8)) %>% as.condition.grid() parameters <- getParameters(g,x) trafo <- parameters %>% setNames(.,.) %>% branch(covtable) %>% insert("x~0", x = c("E", "B")) %>% insert("par~par_line", par = c("A", "k2", "kcat", "Km"), line = line) %>% insert("x~x_scale", x = "s1", scale = membrane) %>% insert("x~dose", x = "E_add", dose = dose) %>% insert("x~exp(log(10)*x)", x = getSymbols(mytrafo[[i]])) %>% {.} p <- P(trafo) pars0 <- c( kcat_line1 = 0 , # 1 Km_line1 = 2 , # 2 k2_line1 = -2 , # 3 s1_1 = 0 , # 4 A_line1 = 2 , # 5 s1_2 = 1 , # 6 kcat_line2 = 0 , # 7 Km_line2 = 2.2 , # 8 k2_line2 = -1 , # 9 A_line2 = 2.3 , # 10 kcat_line3 = 0 , # 11 Km_line3 = 2.2 , # 12 k2_line3 = -1 , # 13 A_line3 = 3 # 14 ) getConditions(p) covtable %>% rownames() model <- dMod.frame("1", g,x,p, NULL, NULL, pars = list(pars0), covtable = list(covtable)) %>% simulate_data(timesD = c(0,3,5,10), seed_data = 1, seed_pars = 1) %>% appendObj(pars = list(pars)) saveRDS(model, "model0.rds") model <- readDMod.frame("model0.rds") # checkout_hypothesis(model,1)
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