What is the goal of small molecule/ligand
|Opened on:||Monday, September 25, 2017 - 20:57|
|Last modified:||Monday, September 25, 2017 - 23:40|
From what I've seen on 1432 there is a small finite number of atoms we can use to design the "ligand", a small number of positions that can be occupied by these atoms and a small number of angles which we can select. This seems to be a task more perfectly suited to a digital treatment. Have the program multiple all the probabilities together and then run a basic stability test on them. That would seem to leave then the task of figuring out how the protein can fold around it. And that is what have been doing all along isn't it? Dealing with the more infinite questions of how the structures are oriented to each other in 3D space. Please help me understand then what value there is then in having us swap atoms, positions and angles.