QSAR and Molecular Dynamics in the study of biomolecular systems: biological activity...

Quantum Chemical Explorations into the Biosynthesis of Pentacyclic Triterpene Fr...

The generator coordinate method in density-functional theory

QSAR studies of benzil phenyl ether diamine derivatives, promising for the treatment...

Study relationship quantitative structure-activity of compounds β-carbolin,...

Aplication of a new proposal for the discretization of the Griffin-Wheeler-Hartree-Fock...

Design of inhibitors of the enzymes glyceraldehyde-3-phosphate dehydrogenase and...

New mathematical approach to the calculation of the discontinuity of the Kohn-Sham...

A QSAR study about the interaction of arylpiperazines compunds with the 5-HT2a receptor...

Computational techniques applied to a series of 5-HT 6 receptor antagonists - target...