Browsing by Author "Barril, Xavier"
Combined Use of Oligopeptides, Fragment Libraries, and Natural Compounds: A Comprehensive Approach To Sample the Druggability of Vascular Endothelial Growth Factor Bayó-Puxan, Núria; Rodríguez-Mias, Ricard; Goldflam, Michael; Kotev, Martin; Ciudad, Sonia; Hipolito, Christopher J.; Varese, Monica; Suga, Hiroaki; Campos-Olivas, Ramón; Barril, Xavier; Guallar, Víctor; Teixidó, Meritxell; García, Jesús; Giralt, Ernest (Wiley Online Library, 2015-11-10)
Open AccessThe modulation of protein–protein interactions (PPIs) is emerging as a highly promising tool to fight diseases. However, whereas an increasing number of compounds are able to disrupt peptide-mediated PPIs efficiently, the ...
Conformational landscape of small ligands: a multilevel strategy to determine the conformational penalty of bioactive ligands Viayna, Antonio; Juárez-Jiménez, Jordi; Barril, Xavier; Luque, F. Javier (Barcelona Supercomputing Center, 2015-05-05)
Open AccessDetermining the conformational penalty required for adopting the bioactive conformation is still a challenging question in drug design, because a small uncertainty in this free energy component can lead to significant ...
Aymami Bofarull, Juan; Barril, Xavier; Delgado, Aida; Reves, Marc; Lavilla, Rodolfo; Higaki, Katsumi; García-Collazo, Anan Maria; Rodríguez-Pascau, Laura; Cubero, Elena; Pizcueta, Pilar; Martinell, Marc (2014)
Open AccessMost Pharmacological chaperones (PC’s) described until now are substrate analogues which bind to the active site of the target protein. C ons e- quently, such PC’s also inhibit the target protein at higher concentrations ...