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Conceptual DFT as a chemoinformatics tool for the study of the Taltobulin anticancer peptide

OBJECTIVE: A well-behaved model chemistry previously validated for the study of the chemical reactivity of peptides was considered for the calculation of the molecular properties and structure of the Taltobulin anticancer peptide. A methodology based on Conceptual Density Functional Theory (CDFT) wa...

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Detalles Bibliográficos
Autores principales:	Flores-Holguín, Norma, Frau, Juan, Glossman-Mitnik, Daniel
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2019
Materias:	Research Note
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6642520/ https://www.ncbi.nlm.nih.gov/pubmed/31324267 http://dx.doi.org/10.1186/s13104-019-4478-7

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