Antonio Viayna, Carolina Estarellas, David Vílchez and F. Javier Luque have recently participated in publishing the article entitled “Holistic approach to anti-knock agent: A high-throughput screening of aniline-like compounds” in the journal Fuel. This work is the result of a long collaboration involving Repsol company and different professors from Facultat de Farmàcia i Ciències de l’Alimentació,…
Read MoreAntonio Viayna, William J. Zamora and F. Javier Luque have recently participated recently in the article entitled “Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model” in the Journal of Computer-Aided Molecular Design. A collaboration also involving Prof. Carles Curutchet from Universitat de Barcelona (UB) and Dr.…
Read MoreF. Javier Luque and Lluís Campos have contributed to a recent publication in Antibiotics journal titled “New Trimethoprim-Like Molecules: Bacteriological Evaluation and Insights into Their Action”. In the study, a characterization of the antimicrobial profile of two trimethoprim-like molecules is reported. The work performed by Javier and Lluís was crucial to understand the kinetics of…
Read MoreUnder the coordination of Lluis Casas and Rosa Giralt, our teammates Toni Viayna and Javier Luque have participated in the publication entitled “El Projecte FORCES: El foment de la recerca a Batxillerat des de la Universitat de Barcelona” where in their specific case they had contact with high school students whom they guided and advised…
Read MoreElnaz Aledavood, Carolina Estarellas and F. Javier Luque have recently published the article entitled “Structural basis of the selective activation of enzyme isoforms: Allosteric response to activators of beta1- and beta2- containing AMPK complexes” in the “Computational and Structural Biotechnology Journal” The studies in this project aimed to explore the molecular basis of the selective…
Read MoreWelcome to Brigida Piergiovanni, who comes from Università di Bari Aldo Moro and has joined the group for a 6-month stay to work in a project dealing with the inhibition mechanism of azocines derivatives against different cholinesterases, within a Erasmus+ program. We hope that you enjoy your stay!
Read MoreLluis Campos and F. Javier Luque recent publication in Pharmaceuticals “Evaluation of the Interactions between Human Serum Albumin (HSA) and Non-Steroidal Anti-Inflammatory (NSAIDs) Drugs by Multiwavelength Molecular Fluorescence, Structural and Computational Analysis” has been selected by the editor as the cover of the forthcoming issue with the title “NSAIDs-HSA Interactions Evaluation by Multiwavelength Molecular Fluorescence…
Read MoreWelcome to Katerina Barmpidi, who comes from University of Athens and has join the group for a 6-month stay to work in a project dealing with the activation mechanism of AMPK enzyme and the implications in the regulation of their metabolic processes, within a Erasmus+ intership program and a HPC-Europa3 program. We hope that you…
Read MoreLluis Campos and F. Javier Luque article “Evaluation of the Interactions between Human Serum Albumin (HSA) and Non-Steroidal Anti-Inflammatory (NSAIDs) Drugs by Multiwavelength Molecular Fluorescence, Structural and Computational Analysis” has been recently accepted for publication in Pharmaceuticals journal. In this work, fluorescence spectroscopy (FS) was used to determine the properties of the binding of HSA to…
Read MoreLast 29th of January, our group took part in the classical IQTCUB (Institut de Química Teòrica i Computacional de la Universitat de Barcelona) meeting. Due to current situation, derivated from the COVID19 pandemy, this year the meeting has been completly virtual. Some of our group members, like Salomé, participated with a talk entitled: “MacA: a molecular valve…
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