[gmx-users] Appropriate Force Field for Dendrimer-Drug Systems

[faride badalkhani]

Dear all,

I am going to investigate the interaction between poly(amidoamine)
dendrimers with different generations, cores, and surface groups (NH2,
COOH, OH, etc) and some low soluble drugs such as curcumines and chalcones.
So, I should perform a productive MD run on the dendrimer nanostructures
and then dock drug into dendrimer and subsequently I should perform a
productive MD on dendrimer-drug complexes. But, I couldn't find an
appropriate FF for this purpose. What FF in GROMACS do you think can work
for me?

Thanks
Farideh