Listar por autor "Lete, Esther"

Mostrando ítems 1-2 de 2

MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products

Carracedo-Reboredo, Paula; Aranzamendi, Eider; He, Shan; Arrasate, Sonia; Munteanu, Cristian-Robert; Fernández-Lozano, Carlos; Sotomayor, Nuria; Lete, Esther; González-Díaz, Humberto (BMC, 2024-01-23)

[Absctract]: The enantioselective Brønsted acid-catalyzed α-amidoalkylation reaction is a useful procedure is for the production of new drugs and natural products. In this context, Chiral Phosphoric Acid (CPA) catalysts ...
MIANN models in medicinal, physical and organic chemistry

González-Díaz, Humberto; Arrasate, Sonia; Sotomayor, Nuria; Lete, Esther; Munteanu, Cristian-Robert; Pazos, A.; Besada-Porto, Lina; Ruso, Juan M. (Bentham, 2013)

[Abstract] Reducing costs in terms of time, animal sacrifice, and material resources with computational methods has become a promising goal in Medicinal, Biological, Physical and Organic Chemistry. There are many computational ...