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IUCrJ
Nov 1, 2024
The accuracy of the information in the Protein Data Bank (PDB) is of great importance for the myriad downstream applications that make use of protein structural information. Despite best efforts, the occasional introduction of errors is inevitable, e...
Bioorganic chemistry
Oct 28, 2024
The purpose of this review is two-fold: (1) to summarize artificial intelligence and machine learning approaches and document the role of ligand-protein structures in directing drug discovery; (2) to present examples of drugs from the recent literatu...
International journal of biological macromolecules
Oct 28, 2024
Protein-protein/peptide interactions play crucial roles in various biological processes. Exploring their interactions attracts wide attention. However, accurately predicting their binding sites remains a challenging task. Here, we develop an effectiv...
Journal of computational biology : a journal of computational molecular cell biology
Oct 23, 2024
De novo protein sequencing is an important problem in proteomics, playing a crucial role in understanding protein functions, drug discovery, design and evolutionary studies, etc. Top-down and bottom-up tandem mass spectrometry are popular approaches ...
Journal of biomolecular NMR
Oct 20, 2024
Artificial intelligence (AI) models are revolutionising scientific data analysis but are reliant on large training data sets. While artificial training data can be used in the context of NMR processing and data analysis methods, relating NMR paramete...
BioEssays : news and reviews in molecular, cellular and developmental biology
Oct 15, 2024
The performance of deep Neural Networks (NNs) in the text (ChatGPT) and image (DALL-E2) domains has attracted worldwide attention. Convolutional NNs (CNNs), Large Language Models (LLMs), Denoising Diffusion Probabilistic Models (DDPMs)/Noise Conditio...
Journal of proteome research
Oct 13, 2024
The integration of deep learning approaches in biomedical research has been transformative, enabling breakthroughs in various applications. Despite these strides, its application in protein inference is impeded by the scarcity of extensively labeled ...
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Oct 10, 2024
Inspired by the success of deep learning in predicting static protein structures, researchers are now actively exploring other deep learning algorithms aimed at predicting the conformational changes of proteins. Currently, a major challenge in the de...
IEEE/ACM transactions on computational biology and bioinformatics
Oct 9, 2024
Accurate prediction of Drug-Target binding Affinity (DTA) is a daunting yet pivotal task in the sphere of drug discovery. Over the years, a plethora of deep learning-based DTA models have emerged, rendering promising results in predicting the binding...
Interdisciplinary sciences, computational life sciences
Oct 5, 2024
The structural stability of proteins is an important topic in various fields such as biotechnology, pharmaceuticals, and enzymology. Specifically, understanding the structural stability of protein is crucial for protein design. Artificial design, whi...