Implicit and Explicit Solvent Effects on the Global Reactivity and the Density Topological Parameters of the Preferred Conformers of Caespitate by Andrea Moreno-Ceballos, María Eugenia Castro, Norma A. Caballero, Liliana Mammino, Francisco J. Melendez

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Conceptual DFT, QTAIM, and Molecular Docking Approaches to Characterize the T-Type Calcium Channel Blocker Anandamide by Maricruz Rangel-Galván, María Eugenia Castro, Jose Manuel Perez-Aguilar, Norma A. Caballero, Francisco J. Melendez

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Analysis of the Gas Phase Acidity of Substituted Benzoic Acids Using Density Functional Concepts by Jorge A. Amador-Balderas, Michael-Adán Martínez-Sánchez, Ramsés E. Ramírez, Francisco Méndez, Francisco J. Meléndez

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In Silico Approach: Anti-Tuberculosis Activity of Caespitate in the H37Rv Strain by Andrea Moreno-Ceballos, Norma A. Caballero, María Eugenia Castro, Jose Manuel Perez-Aguilar, Liliana Mammino, Francisco J. Melendez

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Theoretical Study of the Structural Stability, Chemical Reactivity, and Protein Interaction for NMP Compounds as Modulators of the Endocannabinoid System by Maricruz Rangel-Galván, María Eugenia Castro, Jose Manuel Perez-Aguilar, Norma A. Caballero, Alejandro Rangel-Huerta, Francisco J. Melendez

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Concentration-Dependent Fluorescence Emission of Quercetin by Tatiana Prutskij, Alexandra Deriabina, Francisco J. Melendez, María Eugenia Castro, Leticia Castillo Trejo, German D. Vazquez Leon, Eduardo Gonzalez, Tatiana S. Perova

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Synthesis and 3D Network Architecture of 1- and 16-Hydrated Salts of 4-Dimethylaminopyridinium Decavanadate, (DMAPH)6[V10O28]·nH2O by Eduardo Sánchez-Lara, Aarón Pérez-Benítez, Samuel Treviño, Angel Mendoza, Francisco J. Meléndez, Enrique Sánchez-Mora, Sylvain Bernès, Enrique González-Vergara

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Pharmacological and Toxicological Threshold of Bisammonium Tetrakis 4-(N,N-Dimethylamino)pyridinium Decavanadate in a Rat Model of Metabolic Syndrome and Insulin Resistance by Samuel Treviño, Alfonso Díaz, Eduardo Sánchez-Lara, Víctor Enrique Sarmiento-Ortega, José Ángel Flores-Hernández, Eduardo Brambila, Francisco J. Meléndez, Enrique González-Vergara

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2-Aminopyrimidinium Decavanadate: Experimental and Theoretical Characterization, Molecular Docking, and Potential Antineoplastic Activity by Amalia García-García, Lisset Noriega, Francisco J. Meléndez-Bustamante, María Eugenia Castro, Brenda L. Sánchez-Gaytán, Duane Choquesillo-Lazarte, Enrique González-Vergara, Antonio Rodríguez-Diéguez

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Ternary Copper Complex of L-Glutamine and Phenanthroline as Counterions of Cyclo-Tetravanadate Anion: Experimental–Theoretical Characterization and Potential Antineoplastic Activit... by Nidia D. Corona-Motolinia, Beatriz Martínez-Valencia, Lisset Noriega, Brenda L. Sánchez-Gaytán, Angel Mendoza, Francisco J. Meléndez-Bustamante, María Eugenia Castro, Enrique González-Vergara

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Synthesis, Crystal Structure, and Computational Methods of Vanadium and Copper Compounds as Potential Drugs for Cancer Treatment by Nidia D. Corona-Motolinia, Beatriz Martínez-Valencia, Lisset Noriega, Brenda L. Sánchez-Gaytán, Miguel Ángel Méndez-Rojas, Francisco J. Melendez, María Eugenia Castro, Enrique González-Vergara

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Decavanadate Salts of Cytosine and Metformin: A Combined Experimental-Theoretical Study of Potential Metallodrugs Against Diabetes and Cancer by Eduardo Sánchez-Lara, Samuel Treviño, Brenda L. Sánchez-Gaytán, Enrique Sánchez-Mora, María Eugenia Castro, Francisco J. Meléndez-Bustamante, Miguel A. Méndez-Rojas, Enrique González-Vergara

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D,L-Citrullinato-bipyridine Copper Complex: Experimental and Theoretical Characterization by Diego Ramírez-Contreras, Amalia García-García, Angel Mendoza, Laura E. Serrano-de la Rosa, Brenda L. Sánchez-Gaytán, Francisco J. Melendez, María Eugenia Castro, Enrique González-Vergara

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Comparative Study of Docking Tools for Evaluation of Potential Copper Metallodrugs and Their Interaction with TMPRSS2 by Sergio Vázquez-Rodríguez, Diego Ramírez-Contreras, Lisset Noriega, Amalia García-García, Brenda L. Sánchez-Gaytán, Francisco J. Meléndez, Walter Filgueira de Azevedo, María Eugenia Castro, Enrique González-Vergara

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Guanidinium and spermidinium decavanadates: as small biomimetic models to understand non-covalent interactions between decavanadate and arginine and lysine side chains in proteins by Luis F. Paredes-Pérez, Angel Mendoza, Amalia García-García, Laura E. Serrano-De la Rosa, Miguel A. Méndez-Rojas, Francisco J. Melendez, María Eugenia Castro, Enrique González-Vergara

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L-Citrullinato-Bipyridine and L-Citrullinato-Phenanthroline Mixed Copper Complexes: Synthesis, Characterization and Potential Anticancer Activity by Diego Ramírez-Contreras, Sergio Vázquez-Rodríguez, Amalia García-García, Lisset Noriega, Angel Mendoza, Brenda L. Sánchez-Gaytán, Francisco J. Meléndez, María Eugenia Castro, Maura Cárdenas-García, Enrique González-Vergara

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Synthesis and Experimental-Computational Characterization of a Copper/Vanadium Compound with Potential Anticancer Activity by Beatriz Martínez-Valencia, Nidia D. Corona-Motolinia, Eduardo Sánchez-Lara, Brenda L. Sánchez-Gaytán, Mónica Cerro-López, Angel Mendoza, María Eugenia Castro, Francisco J. Meléndez-Bustamante, Enrique González-Vergara

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Bis-Citrullinato Copper(II) Complex: Synthesis, Crystal Structure, and Non-Covalent Interactions by Diego Ramírez-Contreras, Amalia García-García, Brenda L. Sánchez-Gaytán, Laura E. Serrano-de la Rosa, Francisco J. Melendez, Duane Choquesillo-Lazarte, Antonio Rodríguez-Diéguez, María Eugenia Castro, Enrique González-Vergara

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Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19 by Sergio Vazquez-Rodriguez, Diego Ramírez-Contreras, Lisset Noriega, Lisset Noriega, Amalia García-García, Amalia García-García, Brenda L. Sánchez-Gaytán, Francisco J. Melendez, María Eugenia Castro, Walter Filgueira de Azevedo, Enrique González-Vergara

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