Detecting similar binding pockets to enable systems polypharmacology. by Miquel Duran-Frigola, Lydia Siragusa, Eytan Ruppin, Xavier Barril, Gabriele Cruciani, Patrick Aloy

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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

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A bottom-up approach to find lead compounds in expansive chemical spaces by Álvaro Serrano-Morrás, Andrea Bertran-Mostazo, Marina Miñarro-Lleonar, Arnau Comajuncosa-Creus, Adrià Cabello, Carme Labranya, Carmen Escudero, Tian V. Tian, Inna Khutorianska, Dmytro S. Radchenko, Yurii S. Moroz, Lucas Defelipe, David Ruiz-Carrillo, Maria Garcia-Alai, Robert Schmidt, Matthias Rarey, Patrick Aloy, Carles Galdeano, Jordi Juárez-Jiménez, Xavier Barril

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