Tag
Structure Preparation
Molecular Modeling How to Dock a Ligand into an AlphaFold Model, Step by Step Turn an AlphaFold model into a docking receptor you can defend: trim, superpose, check the pocket, redock a control. Follow the steps. Dr. Abdul Rajjak Shaikh 13 min read Molecular Modeling How to Extract a Single Chain from a PDB File Pull one chain out of a multi-chain structure with PyMOL, ChimeraX, Biopython or the command line, then check it survives pdb2gmx. Start… Dr. Abdul Rajjak Shaikh 13 min read