Welcome!

The Computational Molecular Design Lab is a research group based at the Faculty of Pharmacy of the University of Barcelona. Our focus is to develop and apply computational methods to the discovery of molecular entities of therapeutic interest. We are members of the Computational Biology and Drug Design consolidated resarch group (2017-SGR1746), together with the Luque, Barril, Curutchet and Galdeano labs.

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We are grateful for funding from the Ministerio de Ciencia e Innovación and Gain Therapeutics.

News

04/May/2022

Jordi's work on the design of a fluorogenic probe to evaluate response to anticancer immunotherapies has been published in Nature Communications!

11/March/2022

Congratulations to Ania (@StefaniaDiPede) for publishing her work on the computational characterization of a family of AChE-sEH dual inhibitors in Journal of Medicinal Chemistry!

02/Oct/2021

The 2022 call of FI fellowships is open until October the 20th. Get in touch if you are interested in applying!

20/Sep/2021

Ania (@StefaniaDiPede) will present the poster "Computational characterization of a cryptic pocket in AChE induced by a family of AChE-sEH dual inhibitors" "#Comp218" at the LatinXChem2021 Twitter conference! Follow "#LatinXChem2021" and "#LXChemComp" for some amazing science today!

16/Sep/2021

Farewell and good luck to Ania, who is starting a PhD with Francesco Colizzi at ICM-CSIC

01/Sep/2021

The Computational Molecular Design Lab is alive! - Thanks to the Ministerio of Ciencia e Innovación for making this possible!

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