How can I get a protein-ligand complex from sybyl x 2.0 for MD run and how can we separate the ligand from the protein?

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How to run MD simulation for metallo enzymes having zn in GROMACS?

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If a PDB coordinate file has missing residues. How can i repair the protein?

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gromacs tutorial for simulation

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How can I rectify the following GROMACS error? Fatal error: Atom HB3 in residue SER 3 was not found in rtp entry SER with 8 atoms while sorting atoms.

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gromacs forcefield error

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Why are we adding hydrogen, removing side chains and removing ligand substructure in molecular docking?

I'm referring to molecular docking sybyl version 2.0

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How to start a Molecular Dynamics Simulation?

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Molecular docking software/ websites?

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Mohamed Hussein Hanoun

If you mean docking results, you will find the protein and ligand in the file of docking results. open them by PyMol and do what you need.

I hope that is clear.

Xiaoquan (Chris) Sun

Never use Sybyl. But I know how to separate the complex. First you need to know the residue number of receptor and ligand. Then use VMD, you can save the selected residue to a new PDB file.