Conformational analysis of a polyconjugated protein-binding ligand by joint quantum chemistry and polarizable molecular mechanics. Addressing the issues of anisotropy, conjugation, polarization, and…

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Solvent models

Cited by user JamesMcD1 on 26 Feb 2015

Within the field of computational chemistry, solvent models are a variety of methods to account for the behavior of solvated condensed phases.