HUMBERTO
GONZALEZ DIAZ
VISITANTE IKERBASQUE
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University of Rostock
Rostock, AlemaniaPublicaciones en colaboración con investigadoras/es de University of Rostock (13)
2007
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A model for the recognition of protein kinases based on the entropy of 3D van der waals interactions
Journal of Proteome Research, Vol. 6, Núm. 2, pp. 904-908
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Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral moments
Journal of Computational Chemistry, Vol. 28, Núm. 6, pp. 1042-1048
2006
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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.
FEBS Letters, Vol. 580, Núm. 3, pp. 723-730
2005
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2D RNA-QSAR: Assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a sequence from Psidium guajava L
Bioorganic and Medicinal Chemistry Letters, Vol. 15, Núm. 11, pp. 2932-2937
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Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design III: 2.5D indices for the discovery of antibacterials
Journal of Molecular Modeling, Vol. 11, Núm. 2, pp. 116-123
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Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model
Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 4, pp. 1119-1129
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Recognition of stable protein mutants with 3D stochastic average electrostatic potentials
FEBS Letters, Vol. 579, Núm. 20, pp. 4297-4301
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Stochastic molecular descriptors for polymers. 2. Spherical truncation of electrostatic interactions on entropy based polymers 3D-QSAR
Polymer, Vol. 46, Núm. 8, pp. 2791-2798
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Stochastic-based descriptors studying biopolymers biological properties: Extended MARCH-INSIDE methodology describing antibacterial activity of lactoferricin derivatives
Biopolymers, Vol. 77, Núm. 5, pp. 247-256
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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
2004
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Markov entropy backbone electrostatic descriptors for predicting proteins biological activity
Bioorganic and Medicinal Chemistry Letters, Vol. 14, Núm. 18, pp. 4691-4695
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Markovian Backbone Negentropies: Molecular descriptors for protein research. I. Predicting protein stability in Arc repressor mutants
Proteins: Structure, Function and Genetics, Vol. 56, Núm. 4, pp. 715-723
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Stochastic molecular descriptors for polymers. 1. Modelling the properties of icosahedral viruses with 3D-Markovian negentropies
Polymer, Vol. 45, Núm. 11, pp. 3845-3853