Tag
Interface Analysis
Molecular Modeling MD Simulation of a Protein-Protein Complex in GROMACS Take a docked or AlphaFold-Multimer complex through GROMACS, keep both chains whole, and test the interface with RMSD, contacts and H-bonds. Start… Dr. Abdul Rajjak Shaikh 15 min read Molecular Modeling PDBePISA Tutorial: Analyse a Protein-Protein Interface Run PDBePISA on a crystal or docked complex, read interface area, ΔiG, P-value, H-bonds and CSS, and report them correctly. Follow the… Dr. Abdul Rajjak Shaikh 12 min read