Bren wrote:
>> Hi,
>> I am looking for a program which can estimate the melting point of a protein
> using only the protein sequence, is there one out there?
>> Bren Vaughan, CES Dept, University of Limerick, Rep. of Ireland.
I do not believe it is even possible to do this calculation (at least at
this time).
To do this one would first need to be able to accurately calculate the
structure of the folded state from the sequence. This is a MAJOR
computational problem in itself, and only recently have some of the best
people in the field had limited success with some sequences.
Next one would need to accurately calculate the total free energy of both
the folded AND UNFOLDED states of the protein (since the melting
temperature is really determined by the relative energetics of both
states) as a function of temperature. This calculation would also have
to accurately account for the effects of the protein on the solvent.
Again this is a MAJOR computational problem, even when an x-ray or NMR
structure is available.
Sorry, but I think if you need the information you will have to measure
it experimentally.
--
John Philo, Protein Chemistry
Amgen Inc., Thousand Oaks, CA
jphilo at amgen.com
*** Disclaimer: These are the opinions of the poster not Amgen Inc.***
