RESUMEN
The introduction of AlphaFold 21 has spurred a revolution in modelling the structure of proteins and their interactions, enabling a huge range of applications in protein modelling and design2-6. Here we describe our AlphaFold 3 model with a substantially updated diffusion-based architecture that is capable of predicting the joint structure of complexes including proteins, nucleic acids, small molecules, ions and modified residues. The new AlphaFold model demonstrates substantially improved accuracy over many previous specialized tools: far greater accuracy for protein-ligand interactions compared with state-of-the-art docking tools, much higher accuracy for protein-nucleic acid interactions compared with nucleic-acid-specific predictors and substantially higher antibody-antigen prediction accuracy compared with AlphaFold-Multimer v.2.37,8. Together, these results show that high-accuracy modelling across biomolecular space is possible within a single unified deep-learning framework.
Asunto(s)
Aprendizaje Profundo , Ligandos , Modelos Moleculares , Proteínas , Programas Informáticos , Humanos , Anticuerpos/química , Anticuerpos/metabolismo , Antígenos/metabolismo , Antígenos/química , Aprendizaje Profundo/normas , Iones/química , Iones/metabolismo , Simulación del Acoplamiento Molecular , Ácidos Nucleicos/química , Ácidos Nucleicos/metabolismo , Unión Proteica , Conformación Proteica , Proteínas/química , Proteínas/metabolismo , Reproducibilidad de los Resultados , Programas Informáticos/normasRESUMEN
Unidirectional side scattering of light by a single-element plasmonic nanoantenna is demonstrated using full-field simulations and back focal plane measurements. We show that the phase and amplitude matching that occurs at the Fano interference between two localized surface plasmon modes in a V-shaped nanoparticle lies at the origin of this effect. A detailed analysis of the V-antenna modeled as a system of two coherent point-dipole sources elucidates the mechanisms that give rise to a tunable experimental directivity as large as 15 dB. The understanding of Fano-based directional scattering opens a way to develop new directional optical antennas for subwavelength color routing and self-referenced directional sensing. In addition, the directionality of these nanoantennas can increase the detection efficiency of fluorescence and surface enhanced Raman scattering.
