The journal of physical chemistry. B, 113(15), 5273-5281 (2009-03-24)
The dependence of the effective chemical shielding anisotropy (effective CSA, Deltasigma(eff)) on the phi and psi peptide backbone torsion angles was calculated in the l-alanyl-l-alanine (LALA) peptide using the DFT method. The effects of backbone conformation, molecular charge including the
The journal of physical chemistry. A, 113(27), 7760-7768 (2009-06-17)
Fine effects of the hydration, charge, and conformational structural changes in L-alanyl-L-alanine (Ala-Ala) dipeptide were studied with the aid of Raman and Raman optical activity (ROA) spectra. The spectra were recorded experimentally and analyzed by means of density functional computations.
Determination of theoretical retention times for peptides analyzed by reversed-phase high-performance liquid chromatography.
Dziuba J, et al.
Acta Scientiarum Polonorum. Technologia Alimentaria, 10(2) (2011)
The Journal of chemical physics, 133(1), 014110-014110 (2010-07-10)
We extend the weighted ensemble (WE) path sampling method to perform rigorous statistical sampling for systems at steady state. A straightforward steady-state implementation of WE is directly practical for simple landscapes, but not when significant metastable intermediates states are present.
Journal of the American Chemical Society, 133(35), 13946-13949 (2011-08-10)
The emergence of bacteria resistant to vancomycin, often the antibiotic of last resort, poses a major health problem. Vancomycin-resistant bacteria sense a glycopeptide antibiotic challenge and remodel their cell wall precursor peptidoglycan terminus from d-Ala-d-Ala to d-Ala-d-Lac, reducing the binding
Nuestro equipo de científicos tiene experiencia en todas las áreas de investigación: Ciencias de la vida, Ciencia de los materiales, Síntesis química, Cromatografía, Analítica y muchas otras.
