Catálisis Metálica y Organocatálisis: Nuevos métodos sostenibles de síntesis de moléculas con aplicaciones en salud y ciencia de materiales
University of Cagliari
Cagliari, ItaliaPublicaciones en colaboración con investigadores/as de University of Cagliari (11)
2011
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Review of computer-aided models for predicting collagen stability
Current Computer-Aided Drug Design, Vol. 7, Núm. 4, pp. 287-303
2010
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A new computational chemistry and complex networks approach to structure-function and similarity relationships in protein enzymes
Handbook of Computational Chemistry Research (Nova Science Publishers, Inc.), pp. 387-408
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Protein graphs in cancer prediction
An Omics Perspective on Cancer Research (Springer Netherlands), pp. 125-140
2009
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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, Vol. 30, Núm. 9, pp. 1510-1520
2008
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MMM-QSAR recognition of ribonucleases without alignment: Comparison with an HMM model and isolation from Schizosaccharomyces pombe, prediction, and experimental assay of a new sequence
Journal of Chemical Information and Modeling, Vol. 48, Núm. 2, pp. 434-448
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Using spectral moments of spiral networks based on PSA/mass spectra outcomes to derive quantitative proteome-disease relationships (QPDRs) and predicting prostate cancer
Biochemical and Biophysical Research Communications, Vol. 372, Núm. 2, pp. 320-325
2007
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2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function
Journal of Computational Chemistry, Vol. 28, Núm. 6, pp. 1049-1056
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Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3d and topological indices
Journal of Computational Chemistry, Vol. 28, Núm. 12, pp. 1990-1995
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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, Vol. 28, Núm. 11, pp. 1909-1923
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On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: Embryo and stem cells
Bioorganic and Medicinal Chemistry, Vol. 15, Núm. 7, pp. 2544-2550
2005
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Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species:: Distribution of the antimicrobial G1 on rat tissues
Bioorganic and Medicinal Chemistry Letters, Vol. 15, Núm. 3, pp. 551-557