Agnese Zicari wrote:
Dear all I am mainly a scientist and I would like to complete my
experimental data with some software simulation.
Can Gromacs or model the adsorption and the nucleation of proteins on
surfaces or there is no technical feasibility for this Software on
such a modeling?
Theoretically, anything *could* be done with a simulation. However, it may be
very difficult to derive appropriate parameters that are self-consistent with
protein force fields. This is not a trivial task for anyone, especially someone
starting out in simulations.
Gromacs is well-suited to the task, but you have to consider whether or not it
would be worth the time (it could take months) it would take to develop the
appropriate force field parameters for your surfaces.
-Justin
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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