ahmet yıldırım wrote:
Dear users,
1.) During the simulation the mean potential energy is minus (-) value.
What does this mean? Why minus?
Net attraction.
2.) let's say, Interface/Buried Surace Area (ISA) between protein and
ligand was calculated and hydrophobic ISA obtained greater than
hydrophilic ISA. What does this mean?
That, as you might expect, hydrophobic groups are shielded from the solvent to a
greater extent than polar groups.
-Justin
No one is my special advisor but If you help me, I will be happy.
Thanks in advance
--
Ahmet YILDIRIM
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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