2009 |
11 | EE | Riccardo Concu,
Gianni Podda,
Eugenio Uriarte,
Humberto González Díaz:
Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials.
Journal of Computational Chemistry 30(9): 1510-1520 (2009) |
2008 |
10 | EE | Santiago Vilar,
Humberto González Díaz,
Lourdes Santana,
Eugenio Uriarte:
QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks.
Journal of Computational Chemistry 29(16): 2613-2622 (2008) |
2007 |
9 | EE | Ernesto Estrada,
Eugenio Uriarte:
Erratum to "Folding degrees of azurins and pseudoazurins. Implications for structure and function" [Computational Biology and Chemistry 29 (2005) 345-353].
Computational Biology and Chemistry 31(4): 303 (2007) |
8 | EE | Maykel Cruz-Monteagudo,
Humberto González Díaz,
Guillermín Agüero-Chapín,
Lourdes Santana,
Fernanda Borges,
Elena Rosa Domínguez,
Gianni Podda,
Eugenio Uriarte:
Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems.
Journal of Computational Chemistry 28(11): 1909-1923 (2007) |
7 | EE | Humberto González Díaz,
Yunierkis Pérez-castillo,
Gianni Podda,
Eugenio Uriarte:
Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices.
Journal of Computational Chemistry 28(12): 1990-1995 (2007) |
6 | EE | Humberto González Díaz,
Guillermín Agüero-Chapín,
Javier Varona,
Reinaldo Molina Ruiz,
Giovanna Delogu,
Lourdes Santana,
Eugenio Uriarte,
Gianni Podda:
2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function.
Journal of Computational Chemistry 28(6): 1049-1056 (2007) |
2005 |
5 | EE | Ernesto Estrada,
Eugenio Uriarte:
Folding degrees of azurins and pseudoazurins: Implications for structure and function.
Computational Biology and Chemistry 29(5): 345-353 (2005) |
4 | EE | Santiago Vilar,
Ernesto Estrada,
Eugenio Uriarte,
Lourdes Santana,
Yaquelin Gutierrez:
In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds through the Use of TOPS-MODE and 2D/3D Connectivity Indices. 2. Purine Derivatives.
Journal of Chemical Information and Modeling 45(2): 502-514 (2005) |
2004 |
3 | EE | Enrique Molina,
Humberto González Díaz,
Maykel Pérez González,
Elismary Rodríguez,
Eugenio Uriarte:
Designing Antibacterial Compounds through a Topological Substructural Approach.
Journal of Chemical Information and Modeling 44(2): 515-521 (2004) |
2003 |
2 | EE | Humberto González Díaz,
Ivan Hernández Sánchez,
Eugenio Uriarte,
Lourdes Santana:
Symmetry considerations in Markovian chemicals 'in silico' design (MARCH-INSIDE) I: central chirality codification, classification of ACE inhibitors and prediction of \sigma-receptor antagonist activities.
Computational Biology and Chemistry 27(3): 217-227 (2003) |
2002 |
1 | EE | Ernesto Estrada,
Santiago Vilar,
Eugenio Uriarte,
Yaquelin Gutierrez:
In Silico Studies toward the Discovery of New Anti-HIV Nucleoside Compounds with the Use of TOPS-MODE and 2D/3D Connectivity Indices, 1. Pyrimidyl Derivatives.
Journal of Chemical Information and Computer Sciences 42(5): 1194-1203 (2002) |