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Resultado de la investigación 2005 2018

  • 186 Citas
  • 8 h-Index
  • 26 Article

Combined molecular modelling and 3D-QSAR study for understanding the inhibition of NQO1 by heterocyclic quinone derivatives

López-Lira, C., Alzate-Morales, J. H., Paulino, M., Mella-Raipán, J., Salas, C. O., Tapia, R. A. & Soto-Delgado, J. 1 ene 2018 En : Chemical Biology and Drug Design. 91, 1, p. 29-38 10 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

Molecular modeling
Derivatives
benzoquinone
Quantitative Structure-Activity Relationship
Quinones

Influence of structural changes on photophysical properties of terpyridine derivates: Experimental studies and theoretical calculations

Toledo, D., Brovelli, F., Soto-Delgado, J., Peña, O., Pivan, J. Y. & Moreno, Y. 5 feb 2018 En : Journal of Molecular Structure. 1153, p. 282-291 10 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

Ligands
Discrete Fourier transforms
(2,2'-6',2'')-terpyridine
X ray diffraction analysis
Nuclear magnetic resonance spectroscopy
1 Citas

2D-QSAR and 3D-QSAR/CoMSIA studies on a series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-phenylethan-1-ol with human β3-adrenergic activity

Apablaza, G., Montoya, L., Morales-Verdejo, C., Mellado, M., Cuellar, M., Lagos, C. F., Soto-Delgado, J., Chung, H., Pessoa-Mahana, C. D. & Mella, J. 1 mar 2017 En : Molecules. 22, 3, 404

Resultado de la investigación: Research - revisión exhaustivaArticle

Adrenergic Agents
Ligands
Pharmaceutical Preparations
mirabegron
Quantitative Structure-Activity Relationship
2 Citas

Multiscale Treatment for the Molecular Mechanism of a Diels-Alder Reaction in Solution: A QM/MM-MD Study

Soto-Delgado, J., Tapia, R. A. & Torras, J. 11 oct 2016 En : Journal of Chemical Theory and Computation. 12, 10, p. 4735-4742 8 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

Free energy
Methanol
Water
Diels-Alder reactions
Energy barriers
3 Citas

Structural, electrochemical and theoretical study of a new chalcone derivative containing 3-thiophene rings

Baggio, R., Brovelli, F., Moreno, Y., Pinto, M. & Soto-Delgado, J. 5 nov 2016 En : Journal of Molecular Structure. 1123, p. 1-7 7 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

Chalcone
Thiophenes
Derivatives
Molecules
Molecular mechanics