CS382:Unit-chemical modeling

Chemical modeling - Using resources to model molecules and looking at the kind of molecule a certain combination of atoms make. Goes into using this kind of modeling to make new drugs. Would include a lecture that harks back to an (most likely) earlier lecture about how modeling is the third leg and then go into how drug companies have saved billions of dollars by being able to get through the early phases of drug development with just models. Would have a lab to come up with a feasible possibility for a new type of drug, and what it would/could possibly treat. Need to look into the availability of a computational chem server, as it might not be for use for beyond high school.

• Molecular modelling (wikipedia) This has a whole host of potential softwares to use for this.
• Ghemical homepage This is a software listed on the wiki linked above that I have heard of and have any kind of familiarity with. Though there are certainly many others and it would be a good idea to look at all or most of them in a fair amount of depth before making any decisions as to what software to use.

Pros:

• Maybe able to get the lab or software from Shodor
• Accessible and immediate feedback, understand why would want to do this in the real life
• Hits chemistry (discipline we want to include)

Cons:

• Potentially too complex
• No "numbers", more abstract
• Not immediately comparable to a real world thing, hard to have a real world lab

Comments:

• Walk through making a drug that already exists.
• Find similarities in a drug family