Protocol for coarse grained simulation of protein ligand system using GROMACS v1

Coarse-grained (CG) simulations are a powerful tool for studying the behavior of biomolecular systems. They are becoming increasingly important tools for drug discovery, as they can be used to study a wide variety of systems over long timescales. CG simulations are faster than all-atom MD simulations, which allows researchers to study larger systems over longer timescales. They can also be used to study systems that are too large or too complex to be studied with all-atom MD simulations. Additionally, CG simulations can be used to study systems that are difficult or impossible to study experimentally. CG simulations are typically 100-1000 times faster than all-atom MD simulations. This protocol provides steps along with a video tutorial perform CG simulation for protein ligand system. The advantages and test cases are but not limited to identification of active site, detection of cryptic pockets on protein, competitive binding between two or more ligands and many more The link the video tutorial is available in https://youtu.be/xjfbA1G3PIM