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Issue DateTitleAuthor(s)
2010The impact of theoretical chemistry in BiologyOrozco López, Modesto; Luque Garriga, F. Xavier
4-Jan-2013CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobinGabba, Matteo; Abbruzzetti, Stefania; Spyrakis, Francesca; Forti, Flavio; Bruno, Stefano; Mozzarelli, Andrea; Luque Garriga, F. Xavier; Viappiani, Cristiano; Cozzini, Pietro; Nardini, Marco; Germani, Francesca; Bolognesi, Martino; Moens, Luc; Dewilde, Sylvia
21-Feb-2019Development of a Structure-Based, pH-Dependent Lipophilicity Scale of Amino Acids from Continuum Solvation CalculationsZamora Ramírez, William J.; Campanera Alsina, Josep Maria; Luque Garriga, F. Xavier
16-Dec-2019Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine DerivativesViayna Gaza, Antonio; Antermite, Salvatore G.; de Candia, Modesto; Altomare, Cosimo D.; Luque Garriga, F. Xavier
27-Nov-2019Prediction of the n‑octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculationsZamora Ramírez, William J.; Pinheiro, Silvana de Souza; German, Kilian; Rafols Llach, Clara; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier