General theory for multiple input-output perturbations in complex molecular systems. 1. Linear QSPR electronegativity models in physical, organic, and medicinal …

H Gonzalez-Diaz, S Arrasate… - Current topics in …, 2013 - ingentaconnect.com
In general perturbation methods starts with a known exact solution of a problem and add
“small” variation terms in order to approach to a solution for a related problem without known …

Review of MARCH-INSIDE & complex networks prediction of drugs: ADMET, anti-parasite activity, metabolizing enzymes and cardiotoxicity proteome biomarkers

H Gonzalez-Diaz, A Duardo-Sanchez… - Current Drug …, 2010 - benthamdirect.com
In this communication we carry out an in-depth review of a very versatile QSPR-like method.
The method name is MARCH-INSIDE (MARkov CHains Ivariants for Network Selection and …

Comparative study of topological indices of macro/supramolecular RNA complex networks

G Aguero-Chapin, A Antunes, FM Ubeira… - Journal of chemical …, 2008 - ACS Publications
RNA function annotation is often based on alignment to a previously studied template. In
contrast to the study of proteins, there are not many alignment-free methods to predict RNA …

Quantum mechanical model for information transfer from DNA to protein

IG Karafyllidis - Biosystems, 2008 - Elsevier
A model for the information transfer from DNA to protein using quantum information and
computation techniques is presented. DNA is modeled as the sender and proteins are …

QSPR-Perturbation Models for the Prediction of B-Epitopes from Immune Epitope Database: A Potentially Valuable Route for Predicting In Silico” New Optimal …

S Vázquez-Prieto, E Paniagua, FM Ubeira… - International Journal of …, 2016 - Springer
In the present study, three different physicochemical molecular properties for peptides were
calculated using the program MARCH-INSIDE: atomic polarizability, partition coefficient, and …

tomocomd‐camps and protein bilinear indices – novel bio‐macromolecular descriptors for protein research: I. Predicting protein stability effects of a complete set of …

SE Ortega‐Broche, Y Marrero‐Ponce… - The FEBS …, 2010 - Wiley Online Library
Descriptors calculated from a specific representation scheme encode only one part of the
chemical information. For this reason, there is a need to construct novel graphical …

[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 …

[PDF][PDF] PtRNAss: Prediction of tRNA secondary structure from nucleotide sequences

LY Chuang, YD Lin, CH Yang - IAENG Int J Comput Sci, 2010 - iaeng.org
tRNA is an important small molecule that was preserved throughout evolution. It plays a
central role in the molecular translation process. All tRNAs have a characteristic structure …

A classification of central nucleotides induced by the influence of neighboring nucleotides in triplets

JF Galindo, CI Bermúdez, EE Daza - Journal of Molecular Structure …, 2006 - Elsevier
Theoretical calculations on the 64 nucleotide triplets were carried out to analyze the
possible differences in partial atomic charges of the central nucleotides influenced by …

On applications of macromolecular QSAR theory

PR Duchowicz, EA Castro - Advanced Methods and Applications in …, 2012 - igi-global.com
Present chapter reviews the application of Quantitative Structure-Activity Relationships for
the treatment of molecules involving thousands of atoms, such as proteins, nucleic acids …