Noel Ferro

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Auxins are defined mainly by a set of physiological actions, but the structure-effect relationship still is based on chemical intuition. Currently a well-defined auxin molecular structure is not available. The existence of different auxin binding proteins and mechanisms of auxin action, the wide diversity of the auxin molecules, and the pleiotropic effects(More)
A reasonable balance between accuracy and feasibility of quantum-chemical methods depends on the complexity of the molecular system and the scientific goals. Six series of indole-, naphthalene-, phenol-, benzoic-, phenoxy-, other auxin-derivatives, and a test set of similar organic molecules have been chosen for an assessment of 13 density functional and(More)
A novel approach is applied for the prediction of potential binding sites in ligand-protein interactions. This methodology introduces an integral strategy based on the calculation of protein geometrical parameters and the use of a quantum mechanical descriptor, Binding Local Site (B(LS)). A screening of the most likely cavities in the protein crystal(More)
Structure-activity profiles for the phytohormone auxin have been collected for over 70 years, and a number of synthetic auxins are used in agriculture. Auxin classification schemes and binding models followed from understanding auxin structures. However, all of the data came from whole plant bioassays, meaning the output was the integral of many different(More)
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