I have modeled 3D structure of my protein and want to immobilize it on a catalytic surface/support. Is there any such tool in discovery studio/material studio that would enable me to carry out the work? Alternatively, is there any other such software available for this work to study interaction between protein and metal/surface???
I am not familiar with discovery studio or material studio, but you should be able to model this using a MD package like Amber or GROMACS. The tricky thing will be coming up with the non-bonding parameters that keep your protein on the metal surface. It would be easier if you had residues that are known to chelate to the specific metal you want to model.
@ C.V.C.Shekhar Reddy: Is there any manual on how to do the same using material studio?
maybe the attached publications in this cumulative dissertation are helpful to you
http://edoc.ub.uni-muenchen.de/13282/1/Neumann_Jan.pdf
- Badges
- Science topic