Targeting Novel Allosteric Sites with Confidence: Methods and Applications

by Xavier Barril
Published 2019-08-01

In Silico/In Vivo Insights into the Functional and Evolutionary Pathway of Pseudomonas aeruginosa Oleate-Diol Synthase. Discovery of a New Bacterial Di-Heme Cytochrome C Peroxidase...

by Mónica Estupiñán, Daniel Álvarez-García, Xavier Barril, Pilar Diaz, Angeles Manresa
Published 2015-01-01

Detecting similar binding pockets to enable systems polypharmacology.

by Miquel Duran-Frigola, Lydia Siragusa, Eytan Ruppin, Xavier Barril, Gabriele Cruciani, Patrick Aloy
Published 2017-06-01

Solvents to Fragments to Drugs: MD Applications in Drug Design

by Lucas A. Defelipe, Juan Pablo Arcon, Carlos P. Modenutti, Marcelo A. Marti, Adrián G. Turjanski, Xavier Barril
Published 2018-12-01

Hydrophobic Waters in Bromodomains

by Serena G. Piticchio, Miriam Martínez-Cartró, Salvatore Scaffidi, Sergio Rodríguez-Arévalo, Andrea Bagán, Ainoa Sánchez-Arfelis, Carmen Escolano, Carles Galdeano, Xavier Barril
Published 2019-08-01

rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acids.

by Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, Nicolas Foloppe, A Beatriz Garmendia-Doval, Szilveszter Juhos, Peter Schmidtke, Xavier Barril, Roderick E Hubbard, S David Morley
Published 2014-04-01