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Wyszukujesz frazę "disordered systems" wg kryterium: Temat


Wyświetlanie 1-2 z 2
Tytuł:
Structure and function relationships of proteins based on polar profile: a review
Autorzy:
Polanco, Carlos
Buhse, Thomas
Uversky, Vladimir
Powiązania:
https://bibliotekanauki.pl/articles/1038800.pdf
Data publikacji:
2016
Wydawca:
Polskie Towarzystwo Biochemiczne
Tematy:
amino acids
polarity profile
pattern recognition
dynamical systems theory
atherosclerosis
selective antibacterial peptides
intrinsically disordered proteins
Opis:
Proteins in the post-genome era impose diverse research challenges, the main are the understanding of their structure-function mechanism, and the growing need for new pharmaceutical drugs, particularly antibiotics that help clinicians treat the ever- increasing number of Multidrug-Resistant Organisms (MDROs). Although, there is a wide range of mathematical-computational algorithms to satisfy the demand, among them the Quantitative Structure-Activity Relationship algorithms that have shown better performance using a characteristic training data of the property searched; their performance has stagnated regardless of the number of metrics they evaluate and their complexity. This article reviews the characteristics of these metrics, and the need to reconsider the mathematical structure that expresses them, directing their design to a more comprehensive algebraic structure. It also shows how the main function of a protein can be determined by measuring the polarity of its linear sequence, with a high level of accuracy, and how such exhaustive metric stands as a "fingerprint" that can be applied to scan the protein regions to obtain new pharmaceutical drugs, and thus to establish how the singularities led to the specialization of the protein groups known today.
Źródło:
Acta Biochimica Polonica; 2016, 63, 2; 229-233
0001-527X
Pojawia się w:
Acta Biochimica Polonica
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Model angular distribution functions in CA3, CA4 and CA6 structural units of glassy systems
Autorzy:
Bergmański, G.
Feliziani, S.
Rybicki, J.
Powiązania:
https://bibliotekanauki.pl/articles/1933172.pdf
Data publikacji:
2007
Wydawca:
Politechnika Gdańska
Tematy:
structure of matter
disordered systems
short-range order
stochastic geometry
Opis:
We have calculated model partial angular distribution functions (pADFs) in CA3, CA4 and CA6 structural units, i. e. an equilateral triangle with three vertical anions, A, and a central cation, C, a regular tetrahedron with four vertical anions, A, and a central cation, C and a square bipyramid with six vertical anions, A, and a central cation, C. The model pADFs were calculated employing a simple Monte Carlo procedure: the ions were being shifted at random within 3D spheres of radius r with uniform probability density and the AAA, ACA and CAA angles were calculated for each random configuration. Repeating the calculation 10(8) - 10(9) times produced smooth probability densities for the angles' values. Conventional reference data so obtained can be applied to estimate the overall degree of deformation of the considered structural units in numerically simulated materials.
Źródło:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2007, 11, 3; 185-195
1428-6394
Pojawia się w:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
Dostawca treści:
Biblioteka Nauki
Artykuł
    Wyświetlanie 1-2 z 2

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