Graph theoretical similarity approach to compare molecular electrostatic potentials

RM Marin, NF Aguirre, EE Daza - Journal of chemical information …, 2008 - ACS Publications
In this work we introduce a graph theoretical method to compare MEPs, which is
independent of molecular alignment. It is based on the edit distance of weighted rooted …

[PDF][PDF] Pretopological spaces as a classification tool for RNAs Represented as a succession

JF Galindo, G Rubiano, EE Daza - MATCH Commun. Math …, 2014 - researchgate.net
RNA representation is one of the most important issues in bioinformatics. A challenge,
however, is achieving a correct representation that is able to encode the directionality …

Vibrational spectroscopy and intramolecular hydrogen bond network of (didehydro) deoxycytidine nucleosides

M Ahmed, F Wang - Current Physical Chemistry, 2013 - ingentaconnect.com
Sugar puckering and hydrogen bond networks are the most important properties of
nucleosides as either DNA functional moieties or antibiotics. This article studies such the …