Application of fRMSDchiral for mathematical description of mutual position between stereoisomers

Rafal Damian Urniaz. "Application of fRMSDchiral for mathematical description of mutual position between stereoisomers." Mathematica Applicanda 43.1 (2015): null. <http://eudml.org/doc/293499>.

@article{RafalDamianUrniaz2015,
abstract = {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.},
author = {Rafal Damian Urniaz},
journal = {Mathematica Applicanda},
keywords = {fragment-level RMSD; chiral recognition; bioinformatics; molecular modeling},
language = {eng},
number = {1},
pages = {null},
title = {Application of fRMSDchiral for mathematical description of mutual position between stereoisomers},
url = {http://eudml.org/doc/293499},
volume = {43},
year = {2015},
}

TY - JOUR
AU - Rafal Damian Urniaz
TI - Application of fRMSDchiral for mathematical description of mutual position between stereoisomers
JO - Mathematica Applicanda
PY - 2015
VL - 43
IS - 1
SP - null
AB - 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.
LA - eng
KW - fragment-level RMSD; chiral recognition; bioinformatics; molecular modeling
UR - http://eudml.org/doc/293499
ER -