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Issue DateTitleAuthor(s)
7-Aug-2019Understanding the mechanism of direct activation of AMP-kinase: Towards a fine allosteric tuning of the kinase activityAledavood, Elnaz; Moraes, Gleiciane; Lameira, Jeronimo; Castro, Ana; Luque Garriga, F. Xavier; Estarellas, Carolina
19-May-2022Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2Aranda, Juan; Wieczór, Miłosz; Terrazas Martínez, Montserrat; Brun Heath, Isabelle; Orozco López, Modesto
16-Mar-2017Can Förster Theory Describe Stereoselective Energy Transfer Dynamics in a Protein-Ligand Complex?Pinheiro, Silvana de Souza; Curutchet Barat, Carles E.
21-Apr-2017Structural and energetic study of cation-p-cation interactions in proteinsPinheiro, Silvana de Souza; Soteras, Ignacio; Gelpí Buchaca, Josep Lluís; Dehez, François; Chipot, Christophe; Luque Garriga, F. Xavier; Curutchet Barat, Carles E.
15-May-2017Unveiling a Novel Transient Druggable Pocket in BACE-1 through Molecular Simulations: Conformational Analysis and Binding Mode of Multisite InhibitorsDi Pietro, O.; Juárez Jiménez, Jordi; Muñoz-Torrero López-Ibarra, Diego; Laughton, Charles A.; Luque Garriga, F. Xavier