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Improving the performance of the PLB index for ligand-binding site prediction using dihedral angles and the solvent-accessible surface area

Sep 13, 2016 |

By Chen Cao, G. P. Jr., B. D. MetaPocket, Shutan Xu

| British Journal of Cancer

The hydrogen bonds between a ligand and residues in a protein were calculated using the HBPLUS programme with default values25. Several geometrical criteria of specific atoms, including hydrogen bond donors (D) and acceptors (A), were applied for the identification of hydrogen bonds using HBPLUS.

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Improving the performance of the PLB index for ligand-binding site prediction using dihedral angles and the solvent-accessible surface area

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