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We present a novel methodology that combines graph and dense segmentation techniques by jointly learning both point and pixel contour representations, thereby leveraging the benefits of each approach. This addresses deficiencies in typical…

Computer Vision and Pattern Recognition · Computer Science 2024-02-20 Kit Mills Bransby , Greg Slabaugh , Christos Bourantas , Qianni Zhang

Predicting protein secondary structures such as alpha helices, beta sheets, and coils from amino acid sequences is essential for understanding protein function. This work presents a transformer-based model that applies attention mechanisms…

Artificial Intelligence · Computer Science 2025-12-10 Manzi Kevin Maxime

Due to the lack of a method to efficiently represent the multimodal information of a protein, including its structure and sequence information, predicting compound-protein binding affinity (CPA) still suffers from low accuracy when applying…

Biomolecules · Quantitative Biology 2022-11-28 Binjie Guo , Hanyu Zheng , Haohan Jiang , Xiaodan Li , Naiyu Guan , Yanming Zuo , Yicheng Zhang , Hengfu Yang , Xuhua Wang

Proteins interact to form complexes to carry out essential biological functions. Computational methods have been developed to predict the structures of protein complexes. However, an important challenge in protein complex structure…

Machine Learning · Computer Science 2022-05-24 Xiao Chen , Alex Morehead , Jian Liu , Jianlin Cheng

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Biomolecules · Quantitative Biology 2023-07-10 K. Anton Feenstra , Sanne Abeln

Quantitative characterization of cellular spatial organization is critical for understanding tumor progression and immune response. Recent advances in artificial intelligence (AI) enable large-scale segmentation and classification of nuclei…

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Drug combinations offer therapeutic benefits but also carry the risk of adverse drug-drug interactions (DDIs), especially under complex molecular structures. Accurate DDI event prediction requires capturing fine-grained inter-drug…

Machine Learning · Computer Science 2025-10-27 Xuan Lin , Aocheng Ding , Tengfei Ma , Hua Liang , Zhe Quan

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Recipe is a set of instructions that describes how to make food. It can help people from the preparation of ingredients, food cooking process, etc. to prepare the food, and increasingly in demand on the Web. To help users find the vast…

Multimedia · Computer Science 2023-10-25 Jialiang Shi , Takahiro Komamizu , Keisuke Doman , Haruya Kyutoku , Ichiro Ide

We introduce ProtoPathway, an interpretable-by-design multimodal framework for cancer survival prediction that unifies whole slide imaging and transcriptomics through encoders producing biologically grounded representations on both sides of…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Amaya Gallagher-Syed , Costantino Pitzalis , Myles J. Lewis , Michael R. Barnes , Gregory Slabaugh

Drug-target interaction (DTI) prediction is a critical component of the drug discovery process. In the drug development engineering field, predicting novel drug-target interactions is extremely crucial.However, although existing methods…

Biomolecules · Quantitative Biology 2024-05-24 Hongzhi Zhang , Xiuwen Gong , Shirui Pan , Jia Wu , Bo Du , Wenbin Hu

Systematic identification of protein function is a key problem in current biology. Most traditional methods fail to identify functionally equivalent proteins if they lack similar sequences, structural data or extensive manual annotations.…

Genomics · Quantitative Biology 2016-03-08 Dan Ofer

One of the distinct characteristics in radiologists' reading of multiparametric prostate MR scans, using reporting systems such as PI-RADS v2.1, is to score individual types of MR modalities, T2-weighted, diffusion-weighted, and dynamic…

Image and Video Processing · Electrical Eng. & Systems 2024-01-23 Wen Yan , Bernard Chiu , Ziyi Shen , Qianye Yang , Tom Syer , Zhe Min , Shonit Punwani , Mark Emberton , David Atkinson , Dean C. Barratt , Yipeng Hu

Summary: Most cellular tasks are performed not by individual proteins, but by groups of functionally associated proteins, often referred to as modules. In a protein assocation network modules appear as groups of densely interconnected…

Molecular Networks · Quantitative Biology 2007-05-23 Balazs Adamcsek , Gergely Palla , Illes J. Farkas , Imre Derenyi , Tamas Vicsek

Extracting and binding salient information from different sensory modalities to determine common features in the environment is a significant challenge in robotics. Here we present MuPNet (Multi-modal Predictive Coding Network), a…

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

A cascading system of hierarchical, artificial neural networks (named PRED-CLASS) is presented for the generalized classification of proteins into four distinct classes-transmembrane, fibrous, globular, and mixed-from information solely…

Quantitative Methods · Quantitative Biology 2009-02-19 Claude Pasquier , Vasilis Promponas , Stavros Hamodrakas

We propose a method for predicting helical membrane protein structures by computer simulations. Our method consists of two parts. In the first part, amino-acid sequences of the transmembrane helix regions are obtained from one of existing…

Statistical Mechanics · Physics 2009-11-10 Hironori Kokubo , Yuko Okamoto

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

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