Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis.
Marcela VettorazziCintia MenéndezLucas GutierrezSebastian A. AndujarGustavo AppignanesiRicardo D. EnrizPublished in: J. Comput. Aided Mol. Des. (2018)