- Tytuł:
- Application of fRMSDchiral for mathematical description of mutual position between stereoisomers
- Autorzy:
- Urniaz, Rafal Damian
- Powiązania:
- https://bibliotekanauki.pl/articles/748148.pdf
- Data publikacji:
- 2015
- Wydawca:
- Polskie Towarzystwo Matematyczne
- Tematy:
-
fragment-level RMSD
chiral recognition
bioinformatics
molecular modeling
fragment-level RMSD, związki chiralne, stereoselektywność, bioinformatyka, modelowanie molekularne - Opis:
- The ability of biological systems to recognize and distinguish between compounds is crucial for living systems. A detailed study of this mechanism seems to be an important supplement for analysis of possible contact interactions between compounds and environment. This process could be characterized by variety of descriptors respond to compounds’ structural and physicochemical properties. Usually, the measure of variation in molecule positions in the three dimensional space is realized by the Root Mean Square Deviation (RMSD) calculation. Here, the traditional concept of RMSD was readjusted as fragment-level RMSD (fRMSD) and applied for mathematical description of stereoisomers’ role in the chiral recognition process.
- Źródło:
-
Mathematica Applicanda; 2015, 43, 1
1730-2668
2299-4009 - Pojawia się w:
- Mathematica Applicanda
- Dostawca treści:
- Biblioteka Nauki
Artykuł