Publications in collaboration with researchers from University of Rostock (14)

2013

  1. Unraveling the interaction between the LPS O-antigen of burkholderia anthina and the 5D8 monoclonal antibody by using a multidisciplinary chemical approach, with synthesis, NMR, and molecular modeling methods

    ChemBioChem, Vol. 14, Núm. 12, pp. 1485-1493

2007

  1. 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

  2. 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

  1. 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

  1. 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

  2. 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

  3. 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

  4. Recognition of stable protein mutants with 3D stochastic average electrostatic potentials

    FEBS Letters, Vol. 579, Núm. 20, pp. 4297-4301

  5. 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

  6. 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

  7. 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

  1. Markov entropy backbone electrostatic descriptors for predicting proteins biological activity

    Bioorganic and Medicinal Chemistry Letters, Vol. 14, Núm. 18, pp. 4691-4695

  2. 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

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

    Polymer, Vol. 45, Núm. 11, pp. 3845-3853