Software Developed

Software 1.
Markov Chains Invariants for Network Simulation & Design
Authors: González-Díaz H, Molina R, Sanhez I
Description: MARCH-INSIDE is a new computational tool for Molecular Systems, Graphs and Networks Analysis. The method use Markov Chain models to calculate numerical parameters that quantify the structure of molecular and/or biological systems represented as networks. It is very useful to obtain Quantitative Structure-Property/Activity Relationship (QSPR/QSAR) predictive models for Drugs, DNA sequences, RNAs secondary structures, Proteins 3D structure network, Protein-Protein Interaction (PPI) networks, Host-Parasite networks, etc.
1. Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach. González-Díaz H, et al. Curr Top Med Chem. 2008;8(18):1676-90. PMID: 19075774. Review.
Software 2.
Sequence to Star Network
Authors: CR Munteanu and H González-Díaz
Registry: Register No.: 03/2008/1338 (SC-309-08), Santiago de Compostela, Spain (2008)
Description: Transform alphanumeric strings into networks, graph and numerical parameters in order to predict them properties of interest. Can use as input different alphanumeric string type data, eg.: Proteins, and Gene sequence, MRI, Mass Spectra, Texts, Electroencephalograms, Electrocardiograms, Songs, etc..
Publication: Multi-target QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices. Munteanu CR, Magalhães AL, Uriarte E, González-Díaz H. J Theor Biol. 2009 Mar 21;257(2):303-11. PMID: 19111559