相关论文: ABConformer: Physics-inspired Sliding Attention fo…

Accurate prediction of antibody-binding sites (epitopes) on antigens is crucial for vaccine design, immunodiagnostics, therapeutic antibody development, antibody engineering, research into autoimmune and allergic diseases, and advancing our…

Generating robust and reliable correspondences across images is a fundamental task for a diversity of applications. To capture context at both global and local granularity, we propose ASpanFormer, a Transformer-based detector-free matcher…

Antibody co-design represents a critical frontier in drug development, where accurate prediction of both 1D sequence and 3D structure of complementarity-determining regions (CDRs) is essential for targeting specific epitopes. Despite recent…

Antibody binding site prediction plays a pivotal role in computational immunology and therapeutic antibody design. Existing sequence or structure methods rely on single-view features and fail to identify antibody-specific binding sites on…

Antibodies are a critical part of the immune system, having the function of directly neutralising or tagging undesirable objects (the antigens) for future destruction. Being able to predict which amino acids belong to the paratope, the…

Antigen-antibody binding is a critical process in the immune response. Although recent progress has advanced antibody design, current methods lack a generative framework for end-to-end modeling of full-atom antibody structures and struggle…

An accurate binding affinity prediction between T-cell receptors and epitopes contributes decisively to develop successful immunotherapy strategies. Some state-of-the-art computational methods implement deep learning techniques by…

The development of therapeutic antibodies heavily relies on accurate predictions of how antigens will interact with antibodies. Existing computational methods in antibody design often overlook crucial conformational changes that antigens…

The design and optimization of antibodies requires an intricate balance across multiple properties. Protein inverse folding models, capable of generating diverse sequences folding into the same structure, are promising tools for maintaining…

Accurately predicting antibody-antigen binding residues, i.e., paratopes and epitopes, is crucial in antibody design. However, existing methods solely focus on uni-modal data (either sequence or structure), disregarding the complementary…

Time series forecasting requires capturing patterns across multiple temporal scales while maintaining computational efficiency. This paper introduces AWGformer, a novel architecture that integrates adaptive wavelet decomposition with…

Antibodies are Y-shaped proteins that neutralize pathogens and constitute the core of our adaptive immune system. De novo generation of new antibodies that target specific antigens holds the key to accelerating vaccine discovery. However,…

Retrosynthesis prediction is one of the fundamental challenges in organic synthesis. The task is to predict the reactants given a core product. With the advancement of machine learning, computer-aided synthesis planning has gained…

This paper studies the computational offloading of CNN inference in device-edge co-inference systems. Inspired by the emerging paradigm semantic communication, we propose a novel autoencoder-based CNN architecture (AECNN), for effective…

Retrosynthesis plays a crucial role in the fields of organic synthesis and drug development, where the goal is to identify suitable reactants that can yield a target product molecule. Although existing methods have achieved notable success,…

The success of therapeutic antibodies relies on their ability to selectively bind antigens. AI-based antibody design protocols have shown promise in generating epitope-specific designs. Many of these protocols use an inverse folding step to…

Anomaly detection in industrial systems is crucial for preventing equipment failures, ensuring risk identification, and maintaining overall system efficiency. Traditional monitoring methods often rely on fixed thresholds and empirical…

Detection Transformers represent end-to-end object detection approaches based on a Transformer encoder-decoder architecture, exploiting the attention mechanism for global relation modeling. Although Detection Transformers deliver results on…

Antibodies are proteins produced by the immune system that recognize and bind to specific antigens, and their 3D structures are crucial for understanding their binding mechanism and designing therapeutic interventions. The specificity of…

This paper introduces a hybrid attention and autoencoder (AE) model for unsupervised online anomaly detection in time series. The autoencoder captures local structural patterns in short embeddings, while the attention model learns long-term…