Enhancing Alpha Fold Predictions with Transfer Learning: A Comprehensive Analysis and Benchmarking


Authors : Dr. Pankaj Malik; Anmol Sharma; Anoushka Anand; Anmol Baliyan; Amisha Raj; Jasleen Singh

Volume/Issue : Volume 8 - 2023, Issue 12 - December

Google Scholar : http://tinyurl.com/38w46h2u

Scribd : http://tinyurl.com/45mn8sku

DOI : https://doi.org/10.5281/zenodo.10499711

Abstract : Protein structure prediction is a critical facet of molecular biology, with profound implications for understanding cellular processes and advancing drug discovery. AlphaFold, a state-of-the-art deep learning model, has demonstrated groundbreaking success in predicting protein structures. However, challenges persist, particularly in scenarios with limited data for specific protein families. This research investigates the augmentation of AlphaFold predictions through the application of transfer learning techniques, leveraging knowledge gained from one set of proteins to enhance predictions for related protein families. In this study, we present a comprehensive analysis and benchmarking of the transfer learning approach applied to AlphaFold. Our methodology involves careful selection of source and target protein datasets, meticulous preprocessing steps, and thoughtful modifications to the model architecture to facilitate effective knowledge transfer. We employ established evaluation metrics to quantitatively assess the performance of our enhanced AlphaFold model, comparing it against the original model. The results of our experiments demonstrate notable improvements in prediction accuracy, particularly for protein families that traditionally pose challenges for structure prediction. We discuss the implications of transfer learning on AlphaFold's generalizability and applicability across diverse protein structures. Additionally, we address observed limitations and outline potential avenues for further refinement.

Keywords : Protein structure prediction, protein families, alphafold predictions.

Protein structure prediction is a critical facet of molecular biology, with profound implications for understanding cellular processes and advancing drug discovery. AlphaFold, a state-of-the-art deep learning model, has demonstrated groundbreaking success in predicting protein structures. However, challenges persist, particularly in scenarios with limited data for specific protein families. This research investigates the augmentation of AlphaFold predictions through the application of transfer learning techniques, leveraging knowledge gained from one set of proteins to enhance predictions for related protein families. In this study, we present a comprehensive analysis and benchmarking of the transfer learning approach applied to AlphaFold. Our methodology involves careful selection of source and target protein datasets, meticulous preprocessing steps, and thoughtful modifications to the model architecture to facilitate effective knowledge transfer. We employ established evaluation metrics to quantitatively assess the performance of our enhanced AlphaFold model, comparing it against the original model. The results of our experiments demonstrate notable improvements in prediction accuracy, particularly for protein families that traditionally pose challenges for structure prediction. We discuss the implications of transfer learning on AlphaFold's generalizability and applicability across diverse protein structures. Additionally, we address observed limitations and outline potential avenues for further refinement.

Keywords : Protein structure prediction, protein families, alphafold predictions.

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