Hi everyone!
I have designed a peptide which has a beta hairpin loop structure. I have mutated one of the residues of the peptide in order to check if mutation leads to change in beta hairpin loop structure of peptide. Now I wish to calculate the free energy change for the structural changes that have occurred due to mutation. Could anyone please suggest me how should I go about it?
Thank You
Sry for being short:
http://pmx.mpibpc.mpg.de/tutorial_peptide/index.html
Detailed tutorial here
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/01_theory.html
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/01_theory.html
http://www.gromacs.org/@api/deki/files/262/=gromacs-free-energy-tutorial.pdf
The so-called "entropy " doesn't exist at all.
During the process of deriving the so-called entropy, in fact, ΔQ/T can not be turned into dQ/T. That is, the so-called "entropy " doesn't exist at all.
The so-called entropy was such a concept that was derived by mistake in history.
It is well known that calculus has a definition,
any theory should follow the same principle of calculus; thermodynamics, of course, is no exception, for there's no other calculus at all, this is common sense.
Based on the definition of calculus, we know:
to the definite integral ∫T f(T)dQ, only when Q=F(T), ∫T f(T)dQ=∫T f(T)dF(T) is meaningful.
As long as Q is not a single-valued function of T, namely, Q=F( T, X, …), then,
∫T f(T)dQ=∫T f(T)dF(T, X, …) is meaningless.
1) Now, on the one hand, we all know that Q is not a single-valued function of T, this alone is enough to determine that the definite integral ∫T f(T)dQ=∫T 1/TdQ is meaningless.
2) On the other hand, In fact, Q=f(P, V, T), then
∫T 1/TdQ = ∫T 1/Tdf(T, V, P)= ∫T dF(T, V, P) is certainly meaningless. ( in ∫T , T is subscript ).
We know that dQ/T is used for the definite integral ∫T 1/TdQ, while ∫T 1/TdQ is meaningless, so, ΔQ/T can not be turned into dQ/T at all.
that is, the so-called "entropy " doesn't exist at all.
.
.
.
Why did the wrong "entropy" appear ?
In summary , this was due to the following two reasons:
1) Physically, people didn't know Q=f(P, V, T).
2) Mathematically, people didn't know AΔB couldn‘t become AdB directely .
If people knew any one of them, the mistake of entropy would not happen in history.
Please read my paper and those answers of the questions related to my paper in my Projects.
https://www.researchgate.net/publication/230554936_Entropy_A_concept_that_is_not_a_physical_quantity
- Badges
- Science topic
- Similar topics
- Filing