Results 11 to 20 of about 137,676 (215)

Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin

open access: yesScientific Reports, 2022
Aspergillipeptide D is a cyclic pentapeptide isolated from the marine gorgonian Melitodes squamata-derived fungus Aspergillus sp. SCSIO 41501 that it has been shown to present moderate activity against herpes virus simplex type 1 (HSV-1).
Norma Flores-Holguín   +2 more
doaj   +1 more source

In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology Approach

open access: yesFrontiers in Chemistry, 2021
This research presents the outcomes of a computational determination of the chemical reactivity and bioactivity properties of two plant cyclopeptides isolated from Rosaceae through the consideration of Computational Peptidology (CP), a protocol employed ...
Norma Flores-Holguín   +2 more
doaj   +1 more source

Validating Numerical Simulations to Support Experimental Testing of MRI Gradient-Induced Heating of Passive Implants. [PDF]

open access: yesMagn Reson Med
ABSTRACT Purpose Numerical simulations can be adopted to aid the evaluation of the interaction between switched gradient fields and metallic implants and estimate the possible temperature increase. Anyway, an analysis of the consistency of their prediction with experiments is lacking, differently from what can be found for exposure to radiofrequency ...
Zanovello U   +5 more
europepmc   +2 more sources

Desarrollo de Instrumentos Virtuales en Excel como Apoyo a la Enseñanza de la Metrología

open access: yesTecnología y Ciencia, 2020
La tecnología como medio para la mejora del proceso de enseñanza-aprendizaje, ya sea a través del contacto físico en el aula o laboratorio, o por medio de sistemas virtuales en línea, tiene una potencialidad altamente positiva, haciendo posible ...
Matías Waldino Orué   +2 more
doaj   +1 more source

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET

open access: yesPharmaceuticals, 2022
Bioactive peptides are chemical compounds created through the covalent bonding of amino acids, known as amide or peptide bonds. Due to their unusual chemistry and various biological effects, marine bioactive peptides have garnered considerable research ...
Norma Flores-Holguín   +2 more
doaj   +1 more source

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

open access: yesBMC Research Notes, 2019
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.
Norma Flores-Holguín   +2 more
doaj   +1 more source

New Methods of Esterification of Nanodiamonds in Fighting Breast Cancer—A Density Functional Theory Approach

open access: yesMolecules, 2017
The use of nanodiamonds as anticancer drug delivery vehicles has received much attention in recent years. In this theoretical paper, we propose using different esterification methods for nanodiamonds.
Linda-Lucila Landeros-Martinez   +3 more
doaj   +1 more source

Una descripción del experimento de los Curie [PDF]

open access: yes, 2014
Artículo en PDF de 9 páginas con ilustraciones a color. Material complementario al Laboratorio Curie publicado en el Museo Virtual de la Ciencia del CSIC.Describimos brevemente los antecedentes y el paradigma científico que rodearon las experiencias de ...
López Sancho, José María   +1 more
core   +2 more sources

A CDFT-Based Computational Peptidology (CDFT-CP) Study of the Chemical Reactivity and Bioactivity of the Marine-Derived Alternaramide Cyclopentadepsipeptide

open access: yesJournal of Chemistry, 2021
Alternaramide is a cyclic pentadepsipeptide isolated from marine sources that has been shown to present weak antibiotic activity against Bacillus subtilis and Staphylococcus aureus as well as inhibitory effects on inflammatory mediator expressions. Thus,
Norma Flores-Holguín   +2 more
doaj   +1 more source

Laboratorio virtual de software libre para bibliotecas [PDF]

open access: yes, 2008
La elección de un programa de gestión de bibliotecas se ve afectada muchas veces por una serie de condiciones sociales, económicas y políticas que hacen que la elección no sea la más adecuada para las necesidades, características y funciones de la ...
Rodríguez-Gairín, Josep-Manuel   +2 more
core   +3 more sources

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