Can Schrodinger's Equation predict steric clashes

AI Thread Summary
Ben, a newcomer to the forum, is exploring the application of Schrödinger's equation in predicting steric clashes of functional groups in multi-domain proteins and enzymes. While he acknowledges that, in theory, it could model these interactions, he concludes that practical implementation is unlikely due to complexity. He is focusing on the active sites of proteins and enzymes and humorously notes the need for significant computational power, likening it to using a NASA supercomputer for calculations.
Ben Rodolico
Messages
4
Reaction score
0
Hi All:
My name is Ben, and l am new to the forum. Currently doing a Med Degree, but already have an Engineering Degree and Masters.
With all Schrodinger's equation is able to do, could it also predict and model the steric clashes of functional groups in multi domain proteins, or enzymes?
 
Chemistry news on Phys.org
For all practical purposes no, although it would be possible in theory.
 
What if, l construct a series of Schrodinger's equations, with the probability distribution when the two molecules are in steric hindrance at 1. I am currently looking at only the "active sites" of the proteins and enzymes. I will need the NASA super computer to do the calcs. :)
 
It seems like a simple enough question: what is the solubility of epsom salt in water at 20°C? A graph or table showing how it varies with temperature would be a bonus. But upon searching the internet I have been unable to determine this with confidence. Wikipedia gives the value of 113g/100ml. But other sources disagree and I can't find a definitive source for the information. I even asked chatgpt but it couldn't be sure either. I thought, naively, that this would be easy to look up without...
I was introduced to the Octet Rule recently and make me wonder, why does 8 valence electrons or a full p orbital always make an element inert? What is so special with a full p orbital? Like take Calcium for an example, its outer orbital is filled but its only the s orbital thats filled so its still reactive not so much as the Alkaline metals but still pretty reactive. Can someone explain it to me? Thanks!!
Back
Top