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1.
BrainPepPass: A Framework Based on Supervised Dimensionality Reduction for Predicting Blood-Brain Barrier-Penetrating Peptides.
J Chem Inf Model
; 64(7): 2368-2382, 2024 Apr 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-38054399
2.
Host-Guest Inclusion Complexes of Natural Products and Nanosystems: Applications in the Development of Repellents.
Molecules
; 27(8)2022 Apr 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-35458718
3.
Investigating molecular descriptors in cell-penetrating peptides prediction with deep learning: Employing N, O, and hydrophobicity according to the Eisenberg scale.
PLoS One
; 19(6): e0305253, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38870192
4.
Comparative analysis of the reactivity of anthocyanidins, leucoanthocyanidins, and flavonols using a quantum chemistry approach.
J Mol Model
; 29(4): 93, 2023 Mar 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36905478
5.
Biological Membrane-Penetrating Peptides: Computational Prediction and Applications.
Front Cell Infect Microbiol
; 12: 838259, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35402305
6.
Synthesis, Characterization, Applications, and Toxicity of Green Synthesized Nanoparticles.
Curr Pharm Biotechnol
; 23(3): 420-443, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34355680
7.
Assessment of host-guest molecular encapsulation of eugenol using ß-cyclodextrin.
Front Chem
; 10: 1061624, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-36700078
8.
First report on the Annona exsucca DC. Essential oil and in silico identification of potential biological targets of its major compounds.
Nat Prod Res
; 36(15): 4009-4012, 2022 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-33678086
9.
Analysis of Conformational, Structural, Magnetic, and Electronic Properties Related to Antioxidant Activity: Revisiting Flavan, Anthocyanidin, Flavanone, Flavonol, Isoflavone, Flavone, and Flavan-3-ol.
ACS Omega
; 6(13): 8908-8918, 2021 Apr 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33842761
10.
Unraveling the conformational dynamics of glycerol 3-phosphate dehydrogenase, a nicotinamide adenine dinucleotide-dependent enzyme of Leishmania mexicana.
J Biomol Struct Dyn
; 39(6): 2044-2055, 2021 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-32174264
11.
In silico analyses of toxicity of the major constituents of essential oils from two Ipomoea L. species.
Toxicon
; 195: 111-118, 2021 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-33667485
12.
Measuring the structural impact of mutations on cytochrome P450 21A2, the major steroid 21-hydroxylase related to congenital adrenal hyperplasia.
J Biomol Struct Dyn
; 38(5): 1425-1434, 2020 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-30982438
13.
Targeting Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1: A Structure-based Virtual Screening Approach to Find Novel Inhibitors.
Curr Comput Aided Drug Des
; 16(5): 605-617, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-31654518
14.
Computational study of conformational changes in human 3-hydroxy-3-methylglutaryl coenzyme reductase induced by substrate binding.
J Biomol Struct Dyn
; 37(16): 4374-4383, 2019 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-30470158
15.
Exploring the Potentiality of Natural Products from Essential Oils as Inhibitors of Odorant-Binding Proteins: A Structure- and Ligand-Based Virtual Screening Approach To Find Novel Mosquito Repellents.
ACS Omega
; 4(27): 22475-22486, 2019 Dec 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-31909330
16.
Structural and evolutionary analysis of Leishmania Alba proteins.
Mol Biochem Parasitol
; 217: 23-31, 2017 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-28847609
17.
Structural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloB.
PLoS One
; 9(2): e89116, 2014.
Artículo
en Inglés
| MEDLINE | ID: mdl-24586532
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