RESUMEN
The ability to predict a protein's three-dimensional conformation represents a crucial starting point for investigating evolutionary connections with other members of the corresponding protein family, examining interactions with other proteins, and potentially utilizing this knowledge for the purpose of rational drug design. In this work, we evaluated the feasibility of improving AlphaFold2's three-dimensional protein predictions by developing a novel pipeline (AlphaMod) that incorporates AlphaFold2 with MODELLER, a template-based modeling program. Additionally, our tool can drive a comprehensive quality assessment of the tertiary protein structure by incorporating and comparing a set of different quality assessment tools. The outcomes of selected tools are combined into a composite score (BORDASCORE) that exhibits a meaningful correlation with GDT_TS and facilitates the selection of optimal models in the absence of a reference structure. To validate AlphaMod's results, we conducted evaluations using two distinct datasets summing up to 72 targets, previously used to independently assess AlphaFold2's performance. The generated models underwent evaluation through two methods: i) averaging the GDT_TS scores across all produced structures for a single target sequence, and ii) a pairwise comparison of the best structures generated by AlphaFold2 and AlphaMod. The latter, within the unsupervised setups, shows a rising accuracy of approximately 34% over AlphaFold2. While, when considering the supervised setup, AlphaMod surpasses AlphaFold2 in 18% of the instances. Finally, there is an 11% correspondence in outcomes between the diverse methodologies. Consequently, AlphaMod's best-predicted tertiary structures in several cases exhibited a significant improvement in the accuracy of the predictions with respect to the best models obtained by AlphaFold2. This pipeline paves the way for the integration of additional data and AI-based algorithms to further improve the reliability of the predictions.
RESUMEN
In computer-aided diagnosis (CAD) focused on microscopy, denoising improves the quality of image analysis. In general, the accuracy of this process may depend both on the experience of the microscopist and on the equipment sensitivity and specificity. A medical image could be corrupted by several perturbations during image acquisition. Nowadays, CAD deep learning applications pre-process images with image denoising models to reinforce learning and prediction. In this work, an innovative and lightweight deep multiscale convolutional encoder-decoder neural network is proposed. Specifically, the encoder uses deterministic mapping to map features into a hidden representation. Then, the latent representation is rebuilt to generate the reconstructed denoised image. Residual learning strategies are used to improve and accelerate the training process using skip connections in bridging across convolutional and deconvolutional layers. The proposed model reaches on average 38.38 of PSNR and 0.98 of SSIM on a test set of 57458 images overcoming state-of-the-art models in the same application domain.Clinical relevance - Encoder-decoder based denoiser enables industry experts to provide more accurate and reliable medical interpretation and diagnosis in a variety of fields, from microscopy to surgery, with the benefit of real-time processing.
