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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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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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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Artificial Neural Networks for Predicting the Diameter of Electrospun Nanofibers Synthesized from Solutions/Emulsions of Biopolymers and Oils by Guadalupe Cuahuizo-Huitzil, Octavio Olivares-Xometl, María Eugenia Castro, Paulina Arellanes-Lozada, Francisco J. Meléndez-Bustamante, Ivo Humberto Pineda Torres, Claudia Santacruz-Vázquez, Verónica Santacruz-Vázquez

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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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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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Structural Basis of the Binding Mode of the Antineoplastic Compound Motixafortide (BL-8040) in the CXCR4 Chemokine Receptor by Mariana Rebolledo-Bustillo, David Garcia-Gomez, Eliud Morales Dávila, María Eugenia Castro, Norma A. Caballero, Francisco J. Melendez, Victor M. Baizabal-Aguirre, Brenda L. Sanchez-Gaytan, Jose Manuel Perez-Aguilar

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Tris(2-Pyridylmethylamine)V(O)2 Complexes as Counter Ions of Diprotonated Decavanadate Anion: Potential Antineoplastic Activity by Nidia D. Corona-Motolinia, Beatriz Martínez-Valencia, Lisset Noriega, Brenda L. Sánchez-Gaytán, Francisco J. Melendez, Amalia García-García, Duane Choquesillo-Lazarte, Antonio Rodríguez-Diéguez, María Eugenia Castro, 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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