Dear all,
Is it possible to analyze the interaction of ligand with residues in terms of H bond, hydrophobic, etc, during the course of simulation in DS 4.0 ? There is a feature called 'calculate interaction energy' which can be used to calculate the interaction energies of ligand with nearby residues but I am more interested in some thing like qualitative interaction network of ligand with residues within 5 angstrom (contacts map during the simulation period). Kindly guide me on this.
Thanks and regards.
Natesh
Is it possible to analyze the interaction of ligand with residues in terms of H bond, hydrophobic, etc, during the course of simulation in DS 4.0 ? There is a feature called 'calculate interaction energy' which can be used to calculate the interaction energies of ligand with nearby residues but I am more interested in some thing like qualitative interaction network of ligand with residues within 5 angstrom (contacts map during the simulation period). Kindly guide me on this.
Thanks and regards.
Natesh
