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Biochemical and Biophysical Research Communications|June 16, 2005
Comparative molecular dynamics simulations of uncomplexed, 'agonist-bound' and 'antagonist-bound' alpha1A adrenoceptor modelsGemma K Kinsella, Isabel Rozas, Graeme W WatsonPharmaceuticals (Basel, Switzerland)|June 28, 2023
A Tale of Two Proteases: MPro and TMPRSS2 as Targets for COVID-19 TherapiesBarbara Farkaš, Marco Minneci, Matas Misevicius, et al.Journal of Computer-Aided Molecular Design|October 19, 2005
Modelling the interaction of catecholamines with the alpha 1A adrenoceptor towards a ligand-induced receptor structureGemma K Kinsella, Isabel Rozas, Graeme W WatsonBiochemical and Biophysical Research Communications|October 12, 2004
Computational development of an alpha1A-adrenoceptor model in a membrane mimicGemma K Kinsella, Isabel Rozas, Graeme W WatsonChemistry (Weinheim an Der Bergstrasse, Germany)|September 13, 2012
Regioselectivity in the intramolecular Heck reaction of a series of cyclic sulfonamides: an experimental and computational studyKimberly Geoghegan, Paul Evans, Isabel Rozas, et al.Journal of Medicinal Chemistry|January 20, 2006
Computational study of antagonist/alpha1A adrenoceptor complexes--observations of conformational variations on the formation of ligand/receptor complexesGemma K Kinsella, Isabel Rozas, Graeme W WatsonBioorganic & Medicinal Chemistry|November 1, 2005
Theoretical proton affinities of alpha1 adrenoceptor ligandsGemma K Kinsella, Graeme W Watson, Isabel RozasMolecules (Basel, Switzerland)|May 27, 2015
Aromatic Amino Acids-Guanidinium Complexes through Cation-π InteractionsCristina Trujillo, Ana A Rodriguez-Sanz, Isabel RozasChemistry (Weinheim an Der Bergstrasse, Germany)|March 16, 2023
Simultaneous Hydrogen Bonds with Different Binding Modes: The Acceptor "Rules" but the Donor "Chooses"Marianne Rica Garcia, Iñigo Iribarren, Isabel Rozas, et al.Chemical Communications (Cambridge, England)|July 25, 2017
A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydrideCristina Trujillo, Isabel Rozas, Astrid Botte, et al.Pageof 9