Within the limitations of amp sims in general, I really like the feel, tone and response of the Jet City JCA100 model in Amplitube. It's pretty versatile from clean to crunchy to higher gain and really feels like an amp.
And for pedals, I have to second the Möller. The mix knob is great for dialing in just the amount of TubeScreamery you want into the raw amp sound.