Theoretical Study of the Conformational Behavior of Small Ligands in Different Environments

ANDUJAR, SEBASTIÁN; RICARDO DANIEL ENRIZ

Congreso; 10 th Congress of the World Association of The oretical and Computational Chemists; 2014

The conformational properties of small -ligands present us with a four-faced problem,corresponding to the four principal situations in which they are studied: i) the isolatedmolecule, ii) the molecule in the crystal, iii ) the molecule in solution and iv) the molecule atthe receptor.