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Journal of Medicinal Chemistry|April 21, 2023
Lenalidomide Stabilizes Protein-Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust InteractionsMarina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, et al.Plos Computational Biology|June 30, 2017
Detecting similar binding pockets to enable systems polypharmacologyMiquel Duran-Frigola, Lydia Siragusa, Eytan Ruppin, et al.The Journal of Organic Chemistry|June 7, 2003
Molecular dynamics study of 2rotaxanes: influence of solvation and cation on co-conformationXavier Fradera, Manuel Márquez, Bradley D Smith, et al.The Journal of Physical Chemistry. A|January 13, 2006
Benzoderivatives of nucleic acid bases as modified DNA building blocksOscar Huertas, José Ramón Blas, Ignacio Soteras, et al.Physical Chemistry Chemical Physics : PCCP|June 5, 2013
Ligand migration through hemeprotein cavities: insights from laser flash photolysis and molecular dynamics simulationsStefania Abbruzzetti, Francesca Spyrakis, Axel Bidon-Chanal, et al.Journal of Photochemistry and Photobiology. B, Biology|April 28, 2015
Combined experimental and computational investigation of the absorption spectra of E- and Z-cinnamic acids in solution: The peculiarity of Z-cinnamicsMaría L Salum, Pau Arroyo Mañez, F Javier Luque, et al.Journal of Medicinal Chemistry|April 4, 2003
Theoretical studies on the inhibition mechanism of cyclooxygenase-2. Is there a unique recognition site?Robert Soliva, Carmen Almansa, Susana G Kalko, et al.Journal of Computational Chemistry|June 24, 2003
Energy decomposition in molecular complexes: implications for the treatment of polarization in molecular simulationsCarles Curutchet, Josep María Bofill, Begoña Hernández, et al.Angewandte Chemie (International Ed. in English)|June 2, 2012
Exploration of forbidden Povarov processes as a source of unexpected reactivity: a multicomponent Mannich-Ritter transformationSara Preciado, Esther Vicente-García, Salomé Llabrés, et al.Journal of Computational Chemistry|July 31, 2015
Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fieldsMarie Zgarbová, Andreana M Rosnik, F Javier Luque, et al.Pageof 28