Výsledky vyhledávání - "Delvin Nodarse"

Quantitative structure-antibacterial activity relationship modeling using a combination of piecewise linear regression-discriminant analysis (I): Quantum chemical, topographic, and topological descriptors

Autor: Enrique Molina, Luis A. Torres, Eugenio Uriarte, Delvin Nodarse, Ernesto Estrada, Humberto González

Publikováno v: International Journal of Quantum Chemistry. 108:1856-1871

Time-dependent antibacterial activity of 2-furylethylenes using quantum chemical, topographic, and topological indices is described as inhibition of respiration in E. coll. A QSAR strategy based on the combination of the linear piecewise regression a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::219c9e2161d9e498acc1ed56ae19398e
https://doi.org/10.1002/qua.21702

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Linear indices of the ‘macromolecular graph’s nucleotides adjacency matrix’ as a promising approach for bioinformatics studies. Part 1: Prediction of paromomycin’s affinity constant with HIV-1 Ψ-RNA packaging region

Autor: Delvin Nodarse, Juan Alberto Castillo Garit, Yovani Marrero Ponce

Publikováno v: Bioorganic & Medicinal Chemistry. 13:3397-3404

The design of novel anti-HIV compounds has now become a crucial area for scientists around the world. In this paper a new set of macromolecular descriptors (that are calculated from the macromolecular graph's nucleotide adjacency matrix) of relevance

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e34b62e6ef3cd1f0402d7631dd873e4d
https://doi.org/10.1016/j.bmc.2005.03.010

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Structural contributions of substrates to their binding to P-Glycoprotein. A TOPS-MODE approach

Autor: Ernesto Estrada, Eugenio Uriarte, Enrique Molina, Delvin Nodarse

Publikováno v: University of Strathclyde

A topological substructural molecular design approach (TOPS-MODE) has been used to formulate structural rules for binding of substrates of P-glycoprotein (P-gp). We first review some of the models developed in the recent literature for predicting bin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2bc5d644f5353c4e9f6e798e7461ff4d
https://pubmed.ncbi.nlm.nih.gov/20642431

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Nucleic acid quadratic indices of the 'macromolecular graph's nucleotides adjacency matrix' : Modeling of footprints after the interaction of paromomycin with the HIV-1 Ψ-RNA packaging region

Autor: Yovani Marrero Ponce, Francisco Torrens, Eduardo A. Castro, Ronal Ramos de Armas, Vicente Romero Zaldivar, Humberto González Díaz, Delvin Nodarse

Publikováno v: SEDICI (UNLP)
Universidad Nacional de La Plata
instacron:UNLP
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname
International Journal of Molecular Sciences; Volume 5; Issue 11; Pages: 276-293
International Journal of Molecular Sciences, Vol 5, Iss 11, Pp 276-293 (2004)

This report describes a new set of macromolecular descriptors of relevance to nucleic acid QSAR/QSPR studies, nucleic acids' quadratic indices. These descriptors are calculated from the macromolecular graph's nucleotide adjacency matrix. A study of t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc94ad86fed969161dae8ea599aaac1c
http://sedici.unlp.edu.ar/handle/10915/37463

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