González-Díaz, Humberto; PhD.

(Contains 68 references, updated February, 26, 2008)

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Complete Book:

 




Gonzalez-Díaz H. and Munteanu C.R. (Eds.). Topological Indices for Medicinal Chemistry, Biology, Parasitology, Neurological and Social Networks. Transworld Research Network, 2010, 12 chapters, 212 pp, ISBN: 978-81-7895-489-9.  [download]                                                            

_____________________________________________________________________ 

Reviews

González-Díaz, H., Vilar, S., Santana, L., Uriarte, E. Medicinal Chemistry and Bioinformatics – current trends in drugs discovery with networks topological indices. Curr. Top. Med. Chem., 2007, 7(10), 1015-1029.   Web Abstract PDF free copy


 


Papers: :

 

1. All papers are numbered in increasing order of the publication Year in such a way that the more recent appear first.

2. I list 68 papers in total, which were published in between the Years 2000-2008.

(The following list does NOT include Scientific Congress Communications)

2008

  •  Paper 68. Impact Factor 2006 = 3.025

 Authors: M. Cruz-Monteagudo, H. González-Díaz, F. Borges, E. Dominguez,
and M.N.D.S.Cordeiro.                                                                                        

Title: 3D-MEDNEs: An Alternative “in Silico” Technique for Chemical
Research in Toxicology. 2. Quantitative Proteome Toxicity
Relationships (QPTR) based on Mass Spectrum Spiral Entropy.                  
Ref. journal/book: Chemical Research in Toxicology                            Volumen: --- Pages, first: ---  last: ---  (ms: 10.1021/tx700296t)                
Year: 2008   PDF free galley proofs                                                       

  •  Paper 67. Impact Factor 2006 = 3.42

Authors: G. Agüero-Chapín, González-Díaz, H.; G. de la Riva, E. Rodríguez, A. Sánchez-Rodríguez, Podda G, R. I. Vazquez-Padrón

Title: MMM-QSAR Recognition of Ribonucleases without Alignment: Comparison with HMM model and Isolation from Schizosaccharomyces pombe, Prediction, and Experimental assay of a new sequence.

Ref. journal/book: Journal of Chemical Information and Modelling

Volumen: 48 Pages, first: 434    last: 448      Year: 2008

Web Abstract PDF free copy

  •   Paper 66. Impact Factor 2006 = 5.735

Authors: González-Díaz, H.; González-Díaz, Y.; Santana, L.; Ubeira, F.M.; Uriarte, E.

Title: Proteomics, networks and connectivity indices

Ref. journal/book: Proteomics

Volumen:  Pages, first: ---        last: ---       (DOI 10.1002/pmic.200700638)

Year: 2008  PDF

  •  Paper 65. Impact Factor 2006 = 4.897

Authors: González-Díaz, H., Prado-Prado FJ.

Title: Unified QSAR and network-based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals.

Ref. journal/book: Journal of Computational Chemistry

Volumen: 29, Pages, first: 656   last: 667

Year: 2008

Web Abstract PDF free copy

2007

  •   Paper 64. Impact Factor 2006 = 4.897

Authors: González-Díaz, H., Pérez-Castillo Y, Podda G, Uriarte E.

Title: Computational chemistry comparison of stable/nonstable protein mutants

classification models based on 3D and topological indices.

Ref. journal/book: Journal of Computational Chemistry

Volumen: 28 (12)           Pages, first: 1990       last: 1995

Year: 2007                                                 

Web Abstract PDF free copy 

  •   Paper 63. Impact Factor 2006 = 4.167

Authors: González-Díaz, H., Vilar, S., Santana, L., Uriarte, E.

Title: Medicinal Chemistry and Bioinformatics – current trends in drugs discovery with networks topological indices

Ref. journal/book: Current Topics in medicinal Chemistry

Volumen:  7(10) Pages, first: 1015       last: 1029

Year: 2007                                                     

Web Abstract PDF free copy 

  •   Paper 62. Impact Factor 2006 = 4.897

Authors: Cruz-Monteagudo M, González-Díaz, H., Agüero-Chapín G, Santana L, Borges F, Domínguez ER, Podda G, Uriarte E.

Title: Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems.

Ref. journal/book: Journal of Computational Chemistry

Volumen:  28(11)          Pages, first: 1909       last: 1923

Year: 2007                                                         

Web Abstract PDF free copy 

  •   Paper 61. Impact Factor 2006 = 2.187

Authors: González-Díaz, H., Bonet I, Terán C, De Clercq E, Bello R, García MM, Santana L,Uriarte E.

Title: ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds.

Ref. journal/book: European Journal of Medicinal Chemistry

Volumen:  42(5)  Pages, first: 580        last: 585

Year: 2007

Web Abstract | PDF free copy

  •   Paper 60. Impact Factor 2006 = 2.624

Authors: González-Díaz, H., Vilar S, Santana L, Podda G, Uriarte E.

Title: On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: embryo and stem cells.

Ref. journal/book: Bioorganic & Medicinal Chemistry

Volumen:  15 (7)  Pages, first: 2544     last: 2550  

Year: 2007

Web Abstract | PDF free copy

  •   Paper 59. Impact Factor 2006 = 4.897

Authors: González-Díaz, H., Agüero-Chapin G, Varona J, Molina R, Delogu G, Santana L, Uriarte E, Podda G.

Title: 2D-RNA-coupling numbers: a new computational chemistry approach to link secondary structure topology with biological function.

Ref. journal/book: Journal of Computational Chemistry

Volumen:  28(6):           Pages, first: 1049       last: 1056

Year: 2007

Web Abstract | PDF free copy

  •   Paper 58. Impact Factor 2006 = 4.897

Authors: González-Díaz, H., L. Saíz-Urra, R. Molina, Y. González-Díaz, A. Sanchez-González

Title: Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral moments

Ref. journal/book: Journal of Computational Chemistry

Volumen:  28       Pages, first:1042       last:1048          

Year: 2007

Web Abstract | PDF free copy

  •   Paper 57. Impact Factor 2006 = 5.151

Authors: Gonzalez-Díaz H, Saiz-Urra L, Molina R, Santana L, Uriarte E.

Title: A model for the recognition of protein kinases based on the entropy of 3D van der Waals interactions.

Ref. journal/book: Journal of Proteome Research

Volumen:  6(2)   Pages, first: 904        last:908            

Year: 2007

Web Abstract | PDF free copy

  •   Paper 56. Impact Factor 2006 = 1.77

Authors: González-Díaz, H., Pérez-Bello, A., Cruz-Monteagudo, M., González-Díaz, Y., Santana, L., Uriarte, E.

Title: Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies.

Ref. journal/book: Chemometrics and Intelligent Laboratory Systems

Volumen:  85     Pages, first:20            last: 26  

Year:2007

Web Abstract | PDF free copy

  •   Paper 55. Impact Factor 2006 = 2.624

Authors: Prado-Prado FJ, González-Díaz H, Santana L, Uriarte E.

Title: Unified QSAR approach to antimicrobials. Part 2: Predicting activity agaisnt more than 90 different species in order to halt antibacterial resistance.

Ref. journal/book: Bioorganic & Medicinal Chemistry

Volumen:  15(2) Pages, first:897 last:902

Year: accepted 2007

Web Abstract | PDF free copy

  •   Paper 54. Impact Factor 2006 = 2.624

Authors: González-Díaz, H., Olazábal, E., Santana, L., Uriarte, E., González-Díaz, H., Castañedo, N.

Title: QSAR study of anticoccidial activity for diverse chemical compounds:prediction and experimental assay of trans-2-(2-Nitrovinyl)furan

Ref. journal/book: Bioorganic & Medicinal Chemistry

Volumen:  15     Pages, first: 962 last: 968  

Year: 2007

Web Abstract | PDF free copy

2006

  •   Paper 53. Impact Factor 2006 = 1.72

Authors: M. Cruz-Monteagudo, González-Díaz H., F. Borges, Y.González-Díaz 

Title: Simple stochastic fingerprints towards mathematical modeling in biology and medicine 3. Ocular irritability classification model.

Ref. journal/book: Bulletin of Mathematical Biology 

Volumen:68 Pages, first:1555last: 1572

Year: 2006

  • Paper 52. Impact Factor 2006 = 1.72 

Authors: Cruz-Monteagudo, M., González-Díaz, H., Uriarte, E. 

Title: Simple stochastic fingerprints towards mathematical modeling in biology and medicine 2. Unify Markov model for drugs side effects.

Ref. journal/book: Bulletin of Mathematical Biology 

Volumen:  68     Pages, first:1527        last:1554        

Year: 2006

  • Paper 51. Impact Factor 2005 = 2.286 

Authors: H. González-Díaz, F. J. Prado-Prado, L. Santana, E. Uriarte.

Title: Unify QSAR approach to antimicrobials. Part 1: Predicting antifungal activity against different species.

Ref. journal/book: Bioorganic andMedicinal Chemistry 

Volumen:  14(17)          Pages, first: 5973       last: 5980      

Year: 2006

  • Paper 50. Factor de Impacto 2006 = 5.115 

Authors: L. Santana, E. Uriarte, H. González-Díaz, G. Zagotto, R. Soto-Otero, and E. Méndez-Álvarez

Title: A QSAR Model for in silico Screening of MAO-A Inhibitors. Prediction, Synthesis, and Biological Assay of Novel Coumarins

Ref. journal/book: Journal Medicinal Chemistry 

  Volumen: 49(3)            Pages, first: 1149       last: 1156                    

  Year: 2006

  • Paper 49. Factor de Impacto 2006 = 2.654  
Authors: H. González-Díaz, A. Sánchez González, Y.González-Díaz  
Title: 3D QSAR study for DNA cleavaje proteins with potential anti-tumor ATCUN-like motif. 
Ref. journal/book: Journal of Inorganic Biochemistry
 Volumen:  100(7)          Pages, first: 1290       last: 1297           
Year: 2006 
  • Paper 48. Factor de Impacto 2006 = 3.372 
Authors: G. Agüero-Chapin, H. González-Díaz, R. Molina, J. Varona-Santos, 
E. Uriarte    and Y. González-Díaz 
Title: Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence from 
Psidium guajava  L. 
Ref. journal/book: FEBS Letters  
Volumen: 580(3)          Pages, first: 723         last: 730                                    
Year: 2006 
  • Paper 47. Factor de Impacto 2006 = 2.538 
Authors: H. Gonzalez-Diaz, A. Perez-Bello, E. Uriarte, Y. Gonzalez-Diaz 
Title: QSAR study for mycobacterial promoters with low sequence homology. 
Ref. journal/book: Bioorganic and Medicinal Chemistry Letters 
 Volumen: 16(3)            Pages, first: 547         last: 553                                    
Year: 2006 
  • Paper 46. Factor de Impacto 2006 = 2.624 
Authors: H. González-Díaz, D. Viña, L. Santana, E. De Clercq and E. Uriarte 
Title: Stochastic entropy QSAR for the in silico discovery of anticancer compounds: Prediction, synthesis and in vitro assay of new purine carbanucleosides. 
Ref. journal/book: Bioorganic and Medicinal Chemistry  
Volumen: 14(25)          Pages, first: 1095       last: 1107                   
Year: 2006

2005

  • Paper 45. Factor de Impacto 2005 = 2.022 

Authors: M. Cruz-Monteagudo, H. González-Díaz

Title: Unified drug-target interaction thermodynamic Markov model using stochastic entropies to predict multiple drugs side effects.

Ref. journal/book: Eur. J. Med. Chem. 

Volumen: 40(10)          Pages, first: 1030       last: 1041                   

Year: 2005

Ø  Paper 44. Factor de Impacto 2005 = 1.67

Authors: H. González-Díaz, L. A. Torres-Gómez, Y. Guevara, M. S. Almeida, R. Molina, N. Castañedo, L. Santana, E. Uriarte.

Title: Markovian chemicals “in silico” design (MARCH-INSIDE), a promising approach for computeraided molecular design III: 2.5D indices  for the discovery of antibacterials

Ref. journal/book: J. Mol. Mod.

 Volumen: 11(2)            Pages, first:116          last: 123                                  Year: 2005

Ø  Paper 43. Factor de Impacto 2005 = 3.415

Authors: H. Gonzalez-Diaz, R. Molina, E. Uriarte.

Title: Recognition of stable protein mutants with 3D stochastic average electrostatic potentials

Ref. journal/book: FEBS Letters         

 Volumen: 579(20)        Pages, first:4297        last: 4301                   

Year: 2005

Ø  Paper 42. Factor de Impacto 2005 = 2.849

Authors: H. Gonzalez-Diaz, A. Perez-Bello, E. Uriarte

Title: Stochastic molecular descriptors for polymers. 3. Markov electrostatic moments as polymer 2D-folding descriptors: RNA-QSAR

for mycobacterial promoters

Ref. journal/book: Polymer

Volumen:  46(17)          Pages, first:6461        last:6473                                 Year: 2005

Ø  Paper 41. Factor de Impacto 2005 = 2.849

Authors: H. Gonzalez-Diaz, L. Saiz-Urra, R. Molina, E. Uriarte

Title: Stochastic molecular descriptors for polymers 2. Spherical truncation of electrostatic interactions on entropy based polymers 3D-QSAR

Ref. journal/book: Polymer

Volumen:  46(8)            Pages, first:2791        last:2798      

Year: 2005

Ø  Paper 40. Factor de Impacto 2005 = 2.545

Authors: H. González-Díaz, E. Uriarte

Title: Biopolymer stochastic moments I. Modeling Human Rhinovirus Cellular recognition with Protein Surface Electrostatic Moments

Ref. journal/book: Biopolymers

Volumen:  77(5)            Pages, first:269           last:303                                   Year: 2005

Ø  Paper 39. Factor de Impacto 2005 = 2.545

Authors: R. Ramos de Armas, H. González-Díaz, R. Molina, E. Uriarte

Title: Stochastic-Based Descriptors Studying Biopolymers Biophysical Properties: Extended MARCH-INSIDE Methodologies

Describing Antibacterial Activity of Lactoferricin Derivatives

Ref. journal/book: Biopolymers

Volumen:  77(5)            Pages, first:247           last:256                                  

Year: 2005

Ø  Paper 38. Factor de Impacto 2005 = 2.286

Authors: L. Saiz-Urra, H. Gonzalez-Diaz, E. Uriarte

Title: Proteins Markovian 3D-QSAR with spherically-truncated average electrostatic potentials

Ref. journal/book: Bioorganic and Medicinal Chemistry .

 Volumen: 13(11)          Pages, first: 3641       last: 3647             

Year: 2005

Ø  Paper 37. Factor de Impacto 2005 = 2.286

Authors: A. H. Morales, M. A. Cabrera Pérez, M.P. González, R. Molina, H. González-Díaz

Title: A topological substructural approach applied to the computational prediction of rodent carcinogenicity

Ref. journal/book: Bioorganic and Medicinal Chemistry

Volumen:  13(7)            Pages, first:2477        last:2488                

Year: 2005

Ø  Paper 36. Factor de Impacto 2005 = 2.286

Authors: H. González-Díaz, E. Tenorio, R. Castañedo, L. Santana, E. Uriarte

Title: 3DQSAR Markov model for drug induced eosinophilia-theoretical prediction and preliminary experimental assay of the antimicrobial drug G1

Ref. journal/book: Bioorganic and Medicinal Chemistry

Volumen:  13(5)            Pages, first:1523        last:1530             

Year: 2005

Ø  Paper 35. Factor de Impacto 2005 = 2.286

Authors: H. González-Dı́az, M. Cruz-Monteagudo, R. Molina, E. Tenorio and E. Uriarte

Title: Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model

Ref. journal/book: Bioorganic and Medicinal Chemistry

Volumen:  13(4)            Pages, first: 1119       last: 1129       

Year: 2005

Ø  Paper 34. Factor de Impacto 2005 = 2.286

Authors: O. Gia, S. Marciani-Magno, H. González-Díaz, E. Quezada, L. Santana, E. Uriarte, L. D´Via

Title: Design, Synthesis and Photobiological Properties of 3,4-Cyclopentenepsoralens

Ref. journal/book: Bioorg. Med. Chem.

Volumen:  13(3)             Pages, first: 809         last: 817           

Year: 2005

Ø  Paper 33. Factor de Impacto 2005 = 2.286

Authors: H. González-Díaz,E. Uriarte, R. Ramos De Armas

Title: Predicting stability of Arc repressor mutants with protein stochastic moments

Ref. journal/book: Bioorganic and Medicinal Chemistry

Volumen: 13(2) Pages, first: 323         last:331                             

Year: 2005

Ø  Paper 32. Factor de Impacto 2005 = 2.478

Authors: H. Gonzalez-Diaz, E. Uriarte

Title: Proteins QSAR with Markov average electrostatic potentials

Ref. journal/book: Bioorganic and Medicinal Chemistry Letters

 Volumen: 15(22)          Pages, first:5088        last: 5094              

Year: 2005

Ø  Paper 31. Factor de Impacto 2005 = 2.478

Authors: H. Gonzalez-Diaz, G. Agueero-Chapin, J. Varona-Santos, R. Molina, G.de la Riva, E. Uriarte

Title: 2D RNA-QSAR: assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a

sequence from Psidium guajava L

Ref. journal/book: Bioorganic and Medicinal Chemistry Letters

 Volumen: 15(11)          Pages, first:2932        last: 2937           

Year: 2005

Ø  Paper 30. Factor de Impacto 2005 = 2.478

Authors: H. González-Díaz, M. C. Monteagudo, D. Viña, L. Santana, E. Uriarte and Eric De Clercq

Title: QSAR for anti RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given an unify representation of spectral

moments, quadratic, and topological indices.

Ref. journal/book: Bioorganic and Medicinal Chemistry Letters

Volumen:  15(6)            Pages, first:1651        last:1657              

Year: 2005

Ø  Paper 29. Factor de Impacto 2005 = 2.478

Authors: H. González-Díaz, G. Agüero, M. A. Cabrera, R. Molina, L. Santana, E. Uriarte, G. Delogu, N. Castañedo

Title: Unified Markov thermodynamics based on stochastic forms to classify drug considering molecular structure, partition system and biological species: distribution of the antimicrobial G1 on rat tissues

Ref. journal/book: Bioorganic and Medicinal Chemistry Letters

Volumen:  15(3)            Pages, first:551                      last:557         

Year: 2005

Ø  Paper 28. Factor de Impacto 2005 = 2.286

Authors: M. Pérez González, H. González Díaz, M. A. Cabrera Pérez, R. Molina Ruiz, M. Bermejo Sanz, L. Ramos

Torres, R. Grau Avalos

Title: A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis

Ref. journal/book: Bioorganic and Medicinal Chemistry

Volumen: 12(4) Pages, first: 735         last: 744            

Year: 2005

2004

Ø  Paper 27. Factor de Impacto 2004 = 1.673

Authors: M. A. Cabrera Pérez, M. Bermejo Sanz, L. Ramos Torres, R. Grau Avalos, M. González Pérez, H. González Díaz

Title: A topological sub-structural approach for predicting human intestinal absorption of drugs

Ref. journal/book: Eur. J. Med. Chem.

Volumen: 39      Pages, first: 905         last: 916                      

Year: 2004

Ø  Paper 26. Factor de Impacto 2004 = ---

Authors: Y. Marrero-Ponce, R. Medina-Marrero, E. A. Castro, R. Ramos de Armas, H. González-Díaz, V.

Romero-Zaldívar, F. Torrens

Title: Protein quadratic indices of the “macromolecular pseudograph´s a carbon atom adjacency matrix”. 1. Prediction of Arc repressor Alanine-mutant´s stability

Ref. journal/book: Molecules (Revista tipo B )

Volumen: 9        Pages, first: 1124       last: 1147         

Year: 2004

Ø  Paper 25. Factor de Impacto 2005 = ---

Authors: Y. Marrero-Ponce, D. Nodarse, H. González-Díaz, R. Ramos de Armas, V. Romero-Zaldívar, F. Torrens, E. Castro

Title: Nucleic Acid Quadratic Indices of the “Macromolecular Graph´s NucleotidesAdjacency Matrix . Modeling of Footprints after the Interaction of Paramomycin with the HIV-1-RNA Packaging Region

Ref. journal/book: Int. J. Mol. Sci. (Revista tipo B )

Volumen: 5        Pages, first: 276         last: 293           

Year: 2004

Ø  Paper 24. Factor de Impacto 2004 = 2.433

Authors: H. González-Díaz, R. Molina, E. Uriarte

Title: Stochastic molecular descriptors for polymers. 1. Modelling the properties of icosahedral viruses with 3D-Markovian negentropies

Ref. journal/book: Polymer

Volumen:  45(11)           Pages, first: 3845       last: 3853       

Year: 2004

Ø  Paper 23. Factor de Impacto 2004 = 4.429

Authors: R. Ramos, H. González-Díaz, R. Molina, E. Uriarte

Title: Markovian backbone negentropies: Molecular descriptors for protein research. I. Predicting protein stability in arc repressor mutants

Ref. journal/book: Proteins: Struct. Funct., Bioinform.

Volumen:  56(4)             Pages, first: 715         last: 723               

Year: 2004

Ø  Paper 22. Factor de Impacto 2004 = 2.433

Authors: M.Pérez González, A. Morales Helguera, H. González Díaz

Title: A TOPS-MODE approach to predict permeability coefficients

Ref. journal/book: Polymer

Volumen: 45(6) Pages, first: 2073       last: 2079       

Year: 2004

Ø  Paper 21. Factor de Impacto 2004 = ---

Authors: Y. Marrero Ponce, M. A. Cabrera Pérez, V. Romero Zaldivar, H. González Díaz; F. Torrens.

Title: A new topological descriptors based model for predicting intestinal epithelial transport of drugs in Caco-2 cell culture

Ref. journal/book: J. Pharm. Pharmaceut. Sci. (Revista tipo B )

Volumen: 7        Pages, first: 186         last: 199                     

Year: 2004

Ø  Paper 20. Factor de Impacto 2004 = 2.81

Authors: E. Molina, H. González-Díaz, M. Pérez-González, E. Rodríguez, E.Uriarte

Title: Designing Antibacterial Compounds through a Topological Substructural Approach

Ref. journal/book: Journal of Chemical Information and Computer Sciences

Volumen: 44(2) Pages, first: 515         last: 521                     

Year: 2004

Ø  Paper 19. Factor de Impacto 2004 = 2.018

Authors: Y. Marrero Ponce, H. González Díaz, V. R. Zaldivar, F. Torrens, E. A. Castro

Title: 3D-Chiral quadratic indices of the molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of σ-receptor antagonist activities

Ref. journal/book: Bioorganic and Medicinal Chemistry

Clave AVolumen: 12(20)          Pages, first: 5331       last: 5342    

Year: 2004

Ø  Paper 18. Factor de Impacto 2004 = 2.018

Authors: R. Ramos de Armas, H. González-Díaz, R. Molina, M. Pérez-González, E. Uriarte

Title: Stochastic-based descriptors studying peptides biological properties: modeling the bitter tasting threshold of dipeptides

Ref. journal/book: Bioorganic and Medicinal Chemistry

Volumen:  12(18)           Pages, first: 4815       last: 4822       

Year: 2004

Ø  Paper 17. Factor de Impacto 2004 = 2.018

Authors: M.P. González, L. C. Dias, A. Morales Helguera, R.Y. Morales, L. Gonzaga, L. Torres Gómez, H. González Díaz

Title: TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new anti-inflammatory compounds

Ref. journal/book: Bioorganic and Medicinal Chemistry

Volumen: 12      Pages, first: 4467       last: 4487         

Year: 2004

Ø  Paper 16. Factor de Impacto 2004 = 1.485

Authors: H. González Díaz, I. Bastida, N. Castanedo, O. Nasco, E. Olazabal, A. Morales, H. Serrano, R. Ramos de Armas

Title Simple stochastic fingerprints towards mathematical modelling in biology and medicine. 1. The treatment of coccidiosis.

Ref. journal/book: Bull. Math. Biol.

Volumen: 66      Pages, first:1285        last:1311          

Year: 2004

Ø  Paper 15. Factor de Impacto 2004 = 2.333

Authors: H. González-Díaz, R. Molina, E. Uriarte

Title:Markov entropy backbone electrostatic descriptors for predicting proteins biological activity

Ref. journal/book: Bioorganic & Medicinal Chemistry Letters

Volumen:  14(18)           Pages, first: 4691       last: 4695         

Year: 2004

2003

Ø  Paper 14. Factor de Impacto 2003 = 1.316

Authors: H. González-Díaz, R. Ramos De Armas, R. Molina

Title: Vibrational Markovian modelling of footprints after interaction of antibiotics with the packaging region of HIV Type 1

Ref. journal/book: Bulletin ofMathematical Biology

Volumen: 65      Pages, first: 991         last: 1002       

Year: 2003

Ø  Paper 13. Factor de Impacto 2003 = 6.701

Authors: H. González-Díaz, R. Ramos De Armas, R. Molina

Title: Markovian negentropies in bioinformatics. 1. A picture of footprints after the interaction of the HIV-1 Ψ-RNA packaging region with drugs.

Ref. journal/book: Bioinformatics

Volumen: 19(16)           Pages, first: 2079       last: 2087       

Year: 2003

Ø  Paper 12. Factor de Impacto 2003 = 3.009

Authors: M. Pérez González, H. González-Díaz, R. Molina Ruiz, M. A. Cabrera, R. Ramos De Armas

Title: TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicides

Ref. journal/book: Journal of Chemical Information and Computer Sciences

Volumen: 43(4) Pages, first: 1192       last: 1199         

Year: 2003

Ø  Paper 11. Factor de Impacto 2003 = 3.009

Authors: E. Estrada, H. González

Title: What Are the Limits of Applicability for Graph 2Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors

Ref. journal/book: Journal of Chemical Information and Computer Sciences

Volumen: 43(1) Pages, first: 75                       last: 84                  

Year: 2003

Ø  Paper 10. Factor de Impacto 2003 = 1.011

Authors: H. González Díaz, O. Gia, E. Uriarte, I. Hernández, R. Ramos, M. Chaviano, S. Seijo, J. A. Castillo, L. Morales,

L. Santana, D. Akpaloo, E. Molina, M. Cruz, L. A. Torres,M. A. Cabrera

Title: Markovian Chemicals “In Silico” Design (MARCH-INSIDE), a Promising Approach for Computer-Aided Molecular Design I: Discovery

of Anticancer Compounds

Ref. journal/book: Journal of Molecular Modelling

Volumen: 9(6)   Pages, first: 395         last: 407                     

Year: 2003

Ø  Paper 9. Factor de Impacto 2003 = 3.179

Authors: H.González-Díaz; Y. Marrero, I. Hernandez, I. Bastida, E. Tenorio, O. Nasco, E. Uriarte, N. Castanedo, M. A. Cabrera, E. Aguila, O. Marrero, A. Morales, M. Perez, Maikel

Title: 3D-MEDNEs: An Alternative "In Silico" Technique for Chemical Research in Toxicology. 1. Prediction of Chemically Induced Agranulocytosis.

Ref. journal/book: Chemical Research in Toxicology

Volumen:  16(10)          Pages, first:1318        last:1327                  Year: 2003

Ø  Paper 8. Factor de Impacto 2003 = 1.632

Authors: H. González-Díaz, I. Hernández-Sánchez, E. Uriarte, L. Santana

Title: Symmetry Considerations in Markovian Chemicals “in silico” Design (MARCH-INSIDE) I: Central Chirality Codification, Classification

of ACE Inhibitors and Prediction of σ-Receptor Antagonist Activities

Ref. journal/book: Computational Biology and Chemistry (antes Computers & Chemistry)

Volumen: 27(3) Pages, first: 217         last: 227                     

Year: 2003

Ø  Paper 7. Factor de Impacto 2003 = 2.044

Authors: E. Estrada, E. Uriarte, Y. Gutierrez, González-Díaz H.

Title: Quantitative Structure-Toxicity Relationships Using TOPS-MODE. 3. Structural factors Influencing the Permeability of Commercial Solvents Through Living Human Skin

Ref. journal/book: SAR & QSAR Environ Res.

Volumen:14(2)  Pages, first: 145         last: 163                     

Year: 2003

2002

Ø  Paper 6. Factor de Impacto 2002 = 2.064

Authors: M. A. Cabrera, H. González Díaz, C. Fernandez Teruel, J. M. Pla-Delfina, M. Bermejo Sanz

Title: A novel approach to determining physicochemical and absorption properties of 6-fluoroquinolone derivatives: experimental assessment

Ref. journal/book: Eur. J. Pharm. Biopharm.

Volumen: 53      Pages, first: 317         last: 325                       

Year: 2002

Ø  Paper 5. Factor de Impacto 2002 = 1.235

Authors: H. González Díaz, E. Olazabal, N. Castanedo, I. H. Sánchez, A. Morales, H. S. Serrano, J. Gonzalez,

R. R. de Armas

Title: Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer aided molecular design II: experimental and theoretical assessment of a novel method for virtual screening of fasciolicides

Ref. journal/book: J. Mol. Mod.

Volumen: 8        Pages, first: 237         last: 245                     

Year: 2002

Ø  Paper 4. Factor de Impacto 2002 = ---

Authors: H. González-Díaz, R. Ramos De Armas, E. Uriarte

Title: In Silico markovian Bioinformatics for Predicting 1Ha-NMR Chemical Shifts in mouse Epidermis Growth Factor (mEGF).

Ref. journal/book: Online Journal of Bioinformatics

Volumen: 1        Pages, first: 83                       last: 95                  Year: 2002

2001

Ø  Paper 3. Factor de Impacto 2001 = ---

Authors: Guerra-Tabernero, C.; Bello-Pérez, R.; González-Díaz, H

Title: Construcción de un modelo de predicción para la propiedad Farmacocinética excreción urinaria en fármacos orgánicos.

Ref. journal/book: MEDISAN

Volumen: 5 (2)  Pages, first: 16                       last: 23                  

Year: 2001

Ø  Paper 2. Factor de Impacto 2001 = ---

Authors: M. Cabrera-Pérez, H. González-Díaz, H. Jiménez-López, E. Pérez, E. Gómez-Quintero, N. Castañedo-Cancio

Title: Experimentaland Theoretical Determination of Physicochemical in a Novel Family of Microcidal Compounds

Ref. journal/book: Eur. Bull. Drug Res.

Volumen: 9        Pages, first: 1             last: 11                       

Year: 2001

2000

Ø  Paper 1. Factor de Impacto 2000 = 2.929

Authors: E. Estrada, Y. Gutiérrez, H. González

Title: Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with the TOSS-MODE

Ref. journal/book: J. Chem. Inf. Compt. Sci.

Volumen: 40      Pages, first: 1386       last: 1399       

Year: 2000