[gmx-users] Simulations with unknown structure

[Steven Neumann]

Dear Gmx Users,

I am wondering how many of you faced a problem when you do not have a
crystal structure of the protein of your interest. I am simulating terminal
(app. 150 residues) of a compact protein which is said to represent the
loops. I obtained such model via I-TASSER and QUARKS and that looks really
consistent. Would you trust those servers which generate 3D models from the
sequence when you consider terminal?
Do you know any experiment which is able to validate it or a toold?

I know that this is gmx list but I am wondering if there is anyone who
obtained reliable results from the simulations based on predicted model
from sequence.

Thank you,

Steven
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