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Fecha de publicación	Título	Autor(es)
2021	Subtle structural differences of nucleotide analogs may affect SARS-CoV-2 RNA-dependent RNA polymerase inhibitory activity	Abraham Madariaga-Mazon
2021	Predictive global models of cruzain inhibitors with large chemical coverage	Karina Martinez-Mayorga
2021	DiaNat-DB: a molecular database of antidiabetic compounds from medicinal plants	Karina Martinez-Mayorga
2012	Chemoinformatic analysis of GRAS (Generally Recognized as Safe) flavor chemicals and natural products	Karina Martinez-Mayorga
2021	Two-photon induced isomerization through a cyaninic molecular antenna in azo compounds	Emmanuel Garcia-Villatoro
2020	From Linnett-Gillespie model to the polarization of the spin valence shells of metals in complexes	Fernando Cortes-Guzman
2020	How to bend a cumulene	José Enrique Barquera-Lozada
2020	Fluorescence of serotonin in the visible spectrum upon multiphotonic photoconversion	Jorge Peon
31-mar-2020	Predicting reactive sites with quantum chemical topology: carbonyl additions in multicomponent reactions	Fernando Cortes-Guzman
2020	The effect of a double n(O) -> pi*(C = O) intramolecular interaction on the stability of 3-nitrophthalic acid When the weaks beat an intramolecular hydrogen bond	Jacinto Sandoval-Lira
2020	Effect of the degree of oxidation of graphene oxide on As(III) adsorption	Joaquín Barroso_Flores
2020	Effect of UV radiation on the structure of graphene oxide in water and its impact oncytotoxicity and As(III) adsorption	MAYRA ANGELICA ALVAREZ LEMUS
feb-2020	Efficient implementation of the interacting quantum atoms energy partition of the second-order Moller–Plesset energy	Tomás Rocha Rinza
2020	Laplacian of the hamiltonian kinetic energy density as an indicator of binding and weak interactions	Fernando Cortes-Guzman
2020	The impact of chemoinformatics on drug discovery in the pharmaceutical industry	Karina Martinez-Mayorga
2020	Is the VCD spectrum a fingerprint of the conformational population?: the conformation of perezone in the spotlight	Cuevas, Gabriel
2020	Pharmacophoric sites of anticancer metal complexes located using quantum topological atomic descriptors	Fernando Cortes-Guzman
2020	Bisindole caulerpin analogues as nature-inspired photoresponsive molecules	Jorge Peón
2017	Database fingerprint (DFP): an approach to represent molecular databases	Karina Martínez-Mayorga
2018	Acidity and basicity interplay in amide and imide self-association	Tomás Rocha Rinza