The electrostatic embedding contribution to DFT calculations of ligand-amino acid residues interaction.

da Silva Ribeiro, Tamires C

The electrostatic embedding contribution to DFT calculations of ligand-amino acid residues interaction. [electronic resource] - Journal of molecular modeling Jul 2018 - 211 p. digital

Publication Type: Journal Article

0948-5023

10.1007/s00894-018-3743-3 doi