Density functional theory protein-ligand interactions

Using Density Functional Theory Methods for Modeling Induction and Dispersion Interactions in Ligand-Protein Complexes... 

Antony J, Grimme S, Liakos DG, Neese E (2011) Protein-ligand interaction energies with dispersion corrected density functional theory and high-level wave function based methods. JPhys Chem A 115 11210-11220... 

Yilmazer ND, Korth M (2013) Comparison of molecular mechanics, semi-empirical quantum mechanical, and density functional theory methods for scoring protein ligand interactions. J Phys Chem B 117(27) 8075-8084... 

Utkov H, LivengoodM, Cafiero M (2010) Using density functional theory methods for modeling induction and dispersion interactions in ligand-protein complexes. Ann Rep Comput Chem 6 96-112. doi 10.1016/S1574-1400(10)06007-X... 

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