Sunday, August 20, 2017
This tool is seriously brilliant, and I don't know how I've never heard of it (glad @PastelBio is back from vacation and Tweeting amazing stuff for me to read!) The study is short and open access and available here.
Do you have a great idea for a new type of way for your mass spec to acquire proteomics data? Have you gotten far enough into it to investigate changing the underlying software on your instrument to implement it?
What if you could first simulate the method to see if it makes sense to buy a backup computer and get to writing first?
That's what this thing does! It creates a realistic (key word here!) simulated proteomics dataset that you can try your new method on. It takes input from your .FASTA file and other features of your organism and integrates those with parameters of your LC-MS system and tests what your expected output would be! Maybe there are unintentional consequences of your cool theoretical method that you hadn't considered. If so, this might save you an awful lot of precious time!