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Effects of side-chain orientation on the 13C chemical shifts of antiparallel β-sheet model peptides
(Springer, 2007-02)
The dependence of the 13C chemical shift on side-chain orientation was investigated at the density functional level for a two-strand antiparallel β-sheet model peptide represented by the amino acid sequence Ac-(Ala)3-X-(Ala)12- ...
Factors affecting the use of 13Cα chemical shifts to determine, refine, and validate protein structures
(Veterinary and Human Toxicology, 2008-05)
Interest centers here on the analysis of two different, but related, phenomena that affect side-chain conformations and consequently 13Cα chemical shifts and their applications to determine, refine, and validate protein ...
Destabilization of the torsioned conformation of a ligand side chain inverts the LXRβ activity
(Elsevier Science, 2015-10)
Background: Liver X receptors (LXRs) are transcription factors activated by cholesterol metabolites containing an oxidized side chain. Due to their ability to regulate lipid metabolism and cholesterol transport, they have ...
Molecular design and structural optimization of nanocellulose-based films fabricated via regioselective functionalization for flexible electronics
(2022-07-15)
Nanocellulose backbones highly regioselectively substituted with thiophene and long fatty acid side chains were synthesized via a protecting group strategy. The presence of long-chain pendants balanced the torsional ...
Are accurate computations of the 13C' shielding feasible at the DFT level of theory?
(Wiley, 2014-02)
The goal of this study is twofold. First, to investigate the relative influence of the main structural factors affecting the computation of the 13C0 shielding, namely, the conformation of the residue itself and the next ...
Un modelo multi-objetivo ab-initio para la predicción de plegamiento de proteínas a un nivel de conformaciones atómicas
(2010)
La tesis se enfoca en el problema de la predicción de estructuras de proteínas, uno de los problemas más importantes abordados por la bioinformática y la biología molecular. El problema básico consiste en la predicción de ...
Análisis por dinámica molecular de propiedades tensoactivas de lipopéptidos producidos por Bacillus spp. para su potencial uso en recuperación mejorada de petróleo
(Medellín - Ciencias - Maestría en Ciencias - BiotecnologíaEscuela de biocienciasUniversidad Nacional de Colombia - Sede Medellín, 2019-11-29)
Using surface-active compounds to reduce the interfacial tension between hydrocarbons and water is a mechanism used in Enhanced Oil Recovery. Therefore, substances with a high surfactant activity that cause this reduction ...
Variación de las concentraciones séricas de alfa-fetoproteína en yeguas criollas colombianas durante el último tercio de la gestación
(Universidad Nacional de ColombiaBogotá - Medicina Veterinaria y de Zootecnia - Maestría en Salud y Producción AnimalFacultad de Medicina Veterinaria y de ZootecniaBogotá, ColombiaUniversidad Nacional de Colombia - Sede Bogotá, 2022)
La evaluación de la gestación por medio de biomarcadores y ultrasonografía para detectar
patologías fetales y placentarias son herramientas importantes para el diagnóstico
oportuno de patologías del feto y la placenta. ...