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scopus(5)
Modeling Antimalarial Activity: Application of Kinetic Energy Density Quantum Similarity Measures as Descriptors in QSAR
ArticleAbstract: In this work, is studied the application, within a quantum similarity framework, of the recently desPalabras claves:Autores:Gallegos A., Gironés X., Ramón Carbö-D̈orcaFuentes:scopusModeling large macromolecular structures using promolecular densities
ArticleAbstract: A procedure to easily construct fitted density functions is presented. This methodology, based on thPalabras claves:Autores:Amat L., Gironés X., Ramón Carbö-D̈orcaFuentes:scopusMolecular basis of linear free energy relationships. The nature of inductive effect in aliphatic series
ArticleAbstract: The nature of inductive substituent effect on the acidity of aliphatic carboxylic acids was analyzedPalabras claves:Autores:Gironés X., Ponec R., Ramón Carbö-D̈orcaFuentes:scopusQuantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity: A Molecular Quantum Similarity Study
ArticleAbstract: Controlled modifications in certain protein amino acid residues can lead to changes in their functioPalabras claves:Autores:Gironés X., Ramón Carbö-D̈orca, Robert D.Fuentes:scopusRational modelling of the voltage-dependent K<sup>+</sup> channel inactivation by aminopyridines
ArticleAbstract: A functional model for the in vitro inactivation of voltage-dependent K+ channels is developed. ThePalabras claves:Activity model, Aminopyridines, K channel blocking +, Molecular quantum similarityAutores:Gironés X., Muñoz-Caro C., Niño A., Ramón Carbö-D̈orcaFuentes:scopus