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1.
EspalomaCharge: Machine Learning-Enabled Ultrafast Partial Charge Assignment.
J Phys Chem A
; 128(20): 4160-4167, 2024 May 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38717302
2.
Antioxidant, Immunostimulatory, and Anticancer Properties of Hydrolyzed Wheat Bran Mediated through Macrophages Stimulation.
Int J Mol Sci
; 24(8)2023 Apr 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-37108599
3.
Combined Strategy Using High Hydrostatic Pressure, Temperature and Enzymatic Hydrolysis for Development of Fibre-Rich Ingredients from Oat and Wheat By-Products.
Foods
; 13(3)2024 Jan 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-38338514
4.
Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex.
bioRxiv
; 2023 Jun 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-36945557
5.
Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex.
J Chem Theory Comput
; 19(15): 4863-4882, 2023 Aug 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-37450482
6.
Twin-Screw Extrusion as Hydrothermal Technology for the Development of Gluten-Free Teff Flours: Effect on Antioxidant, Glycaemic Index and Techno-Functional Properties.
Foods
; 11(22)2022 Nov 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-36429204
7.
End-to-end differentiable construction of molecular mechanics force fields.
Chem Sci
; 13(41): 12016-12033, 2022 Oct 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-36349096
8.
Impact of Protein Content on the Antioxidants, Anti-Inflammatory Properties and Glycemic Index of Wheat and Wheat Bran.
Foods
; 11(14)2022 Jul 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-35885294
9.
Sprouting and Hydrolysis as Biotechnological Tools for Development of Nutraceutical Ingredients from Oat Grain and Hull.
Foods
; 11(18)2022 Sep 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-36140899
10.
Bioprocessed Wheat Ingredients: Characterization, Bioaccessibility of Phenolic Compounds, and Bioactivity During in vitro Digestion.
Front Plant Sci
; 12: 790898, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-35003179
11.
Correction to Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex.
J Chem Theory Comput
; 20(2): 990-991, 2024 Jan 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38164914
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