Improvements in docking scoring functions: the physics-based perspective

অনুযায়ী Barril, Xavier
প্রকাশিত 2012

Testing automatic methods to predict free binding energy of host–guest complexes in SAMPL7 challenge

অনুযায়ী Serillon, Dylan, Bo, Carles, Barril, Xavier
প্রকাশিত J Comput Aided Mol Des (2021)

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...

অনুযায়ী Estupiñán, Mónica, Álvarez-García, Daniel, Barril, Xavier, Diaz, Pilar, Manresa, Angeles
প্রকাশিত PLoS One (2015)

Detecting similar binding pockets to enable systems polypharmacology

অনুযায়ী Duran-Frigola, Miquel, Siragusa, Lydia, Ruppin, Eytan, Barril, Xavier, Cruciani, Gabriele, Aloy, Patrick
প্রকাশিত PLoS Comput Biol (2017)

TuberQ: a Mycobacterium tuberculosis protein druggability database

অনুযায়ী Radusky, Leandro, Defelipe, Lucas A., Lanzarotti, Esteban, Luque, Javier, Barril, Xavier, Marti, Marcelo A., Turjanski, Adrián G.
প্রকাশিত 2014

Solvents to Fragments to Drugs: MD Applications in Drug Design

অনুযায়ী Defelipe, Lucas A., Arcon, Juan Pablo, Modenutti, Carlos P., Marti, Marcelo A., Turjanski, Adrián G., Barril, Xavier
প্রকাশিত Molecules (2018)

DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders

অনুযায়ী Rachman, Moira, Scarpino, Andrea, Bajusz, Dávid, Pálfy, Gyula, Vida, István, Perczel, András, Barril, Xavier, Keserű, György M.
প্রকাশিত ChemMedChem (2019)

Discovery of a novel kinase hinge binder fragment by dynamic undocking

অনুযায়ী Rachman, Moira, Bajusz, Dávid, Hetényi, Anasztázia, Scarpino, Andrea, Merő, Balázs, Egyed, Attila, Buday, László, Barril, Xavier, Keserű, György M.
প্রকাশিত RSC Med Chem (2020)

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids

অনুযায়ী Ruiz-Carmona, Sergio, Alvarez-Garcia, Daniel, Foloppe, Nicolas, Garmendia-Doval, A. Beatriz, Juhos, Szilveszter, Schmidtke, Peter, Barril, Xavier, Hubbard, Roderick E., Morley, S. David
প্রকাশিত 2014

Combined Use of Oligopeptides, Fragment Libraries, and Natural Compounds: A Comprehensive Approach To Sample the Druggability of Vascular Endothelial Growth Factor

অনুযায়ী 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
প্রকাশিত ChemMedChem (2015)

Fluorogenic Trp(redBODIPY) cyclopeptide targeting keratin 1 for imaging of aggressive carcinomas

অনুযায়ী Subiros-Funosas, Ramon, Ho, Vivian Cheuk Lam, Barth, Nicole D., Mendive-Tapia, Lorena, Pappalardo, Morena, Barril, Xavier, Ma, Ruoyu, Zhang, Cheng-Bin, Qian, Bin-Zhi, Sintes, Miquel, Ghashghaei, Ouldouz, Lavilla, Rodolfo, Vendrell, Marc
প্রকাশিত Chem Sci (2019)

Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase

অনুযায়ী Talibov, Vladimir O., Fabini, Edoardo, FitzGerald, Edward A., Tedesco, Daniele, Cederfeldt, Daniela, Talu, Martin J., Rachman, Moira M., Mihalic, Filip, Manoni, Elisabetta, Naldi, Marina, Sanese, Paola, Forte, Giovanna, Lepore Signorile, Martina, Barril, Xavier, Simone, Cristiano, Bartolini, Manuela, Dobritzsch, Doreen, Del Rio, Alberto, Danielson, U. Helena
প্রকাশিত Chembiochem (2021)

VAV3 mediates resistance to breast cancer endocrine therapy

অনুযায়ী Aguilar, Helena, Urruticoechea, Ander, Halonen, Pasi, Kiyotani, Kazuma, Mushiroda, Taisei, Barril, Xavier, Serra-Musach, Jordi, Islam, Abul, Caizzi, Livia, Di Croce, Luciano, Nevedomskaya, Ekaterina, Zwart, Wilbert, Bostner, Josefine, Karlsson, Elin, Pérez Tenorio, Gizeh, Fornander, Tommy, Sgroi, Dennis C, Garcia-Mata, Rafael, Jansen, Maurice PHM, García, Nadia, Bonifaci, Núria, Climent, Fina, Soler, María Teresa, Rodríguez-Vida, Alejo, Gil, Miguel, Brunet, Joan, Martrat, Griselda, Gómez-Baldó, Laia, Extremera, Ana I, Figueras, Agnes, Balart, Josep, Clarke, Robert, Burnstein, Kerry L, Carlson, Kathryn E, Katzenellenbogen, John A, Vizoso, Miguel, Esteller, Manel, Villanueva, Alberto, Rodríguez-Peña, Ana B, Bustelo, Xosé R, Nakamura, Yusuke, Zembutsu, Hitoshi, Stål, Olle, Beijersbergen, Roderick L, Pujana, Miguel Angel
প্রকাশিত 2014