Preparing complex and topology
-
1
Preparing two different proteins using X-ray or Alpha-fold2 from RCSB or InCerebro database
From The Mind Come Drugs of the Future
Preparing two different proteins using X-ray or Alpha-fold2 from RCSB or InCerebro database
Selecting best binding positions using molecular docking
Predicting major residue mutation considering interaction
Inserting protein into bilayer membrane or into water box
Energy Minimization followed by Equilibration
Molecular dynamics simulation for protein-protein complex in biosimilar environment
Analyzing binding affinity of protein-protein
Analyzing energetic contribution of each inter-residue interaction