Feasibility of MD and interaction analysis for membrane-embedded receptors with ligands and ion-oxidized nanoparticles

Hello Community,

I am evaluating whether BIOVIA Discovery studio can support an integrated workflow for studying biomolecular interactions in a realistic membrane environment.

My actual query is, can binding affinity, molecular dynamics, and interaction analysis be performed for a membrane-embedded receptor within a lipid bilayer, including its interactions with small-molecule ligands, and can the dynamic behaviour of ion-oxidized nanoparticles interacting with this membrane system also be evaluated?

 

Any guidance on would be very helpful.

Thank you in advance for your support.

Megha