Dear Sir,
I do a computer simulation of a protein in order to compare the
structure and its biological function. For my work, molecular dynamics have
been performed to study dynamics structure of an enzyme at two different
temperatures, 300 and 310.5K, using AMBER 5.
One of my interesting properties is "Solvent Accessible Surface
Area" (SASA). The results show that SASA of the simulated structure at
310.5K is lower than that of the 300K. Is it strange result that the protein
structure in aqueous solution at higher temperature has the lower SASA than
that of the lower temperature?
Any comments will be appreciate.
Sincerely yours,
Pornthep Sompornpisut
