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Protein function and dynamics are closely related to its sequence and structure. However prediction of protein function and dynamics from its sequence and structure is still a fundamental challenge in molecular biology. Protein…

Biomolecules · Quantitative Biology 2015-10-06 Zixuan Cang , Lin Mu , Kedi Wu , Kristopher Opron , Kelin Xia , Guo-Wei Wei

Avian Influenza breakouts cause millions of dollars in damage each year globally, especially in Asian countries such as China and South Korea. The impact magnitude of a breakout directly correlates to time required to fully understand the…

Quantitative Methods · Quantitative Biology 2018-02-27 Woo Yong Choi , Kyu Ye Song , Chan Woo Lee

Viroporins are small viral proteins that oligomerize in the membrane of host cells and induce the formation of hydrophilic pores in these membranes, thus altering the physiological properties of the host cells. Due to their significance for…

Biomolecules · Quantitative Biology 2022-09-13 Antonios Kolocouris , Isaiah Arkin , Nicholas M. Glykos

Strain-level identification of viruses is critical for effective public health responses to potential outbreaks, yet current diagnostic methods often lack the necessary speed or sensitivity. Surface-enhanced Raman spectroscopy (SERS) offers…

Significant differences in protein structures hinder the generalization of existing drug-target interaction (DTI) models, which often rely heavily on pre-learned binding principles or detailed annotations. In contrast, BioBridge designs an…

Machine Learning · Computer Science 2025-03-28 Xiaoqing Lian , Jie Zhu , Tianxu Lv , Shiyun Nie , Hang Fan , Guosheng Wu , Yunjun Ge , Lihua Li , Xiangxiang Zeng , Xiang Pan

Bacteriophages (phages) are key regulators of bacterial populations and hold great promise for applications such as phage therapy, biocontrol, and industrial fermentation. The success of these applications depends on accurately determining…

Genomics · Quantitative Biology 2026-01-23 Yang Shen , Keming Shi , Chen Yu , Rui Zhang , Yanni Sun , Jiayu Shang

This paper presents a non-parametric classification technique for identifying a candidate bi-allelic genetic marker set that best describes disease susceptibility in gene-gene interaction studies. The developed technique functions by…

As more and more infection-specific machine learning models are developed and planned for clinical deployment, simultaneously running predictions from different models may provide overlapping or even conflicting information. It is important…

Machine Learning · Computer Science 2023-11-17 Ethan Harvey , Junzi Dong , Erina Ghosh , Ali Samadani

Clinical trials are crucial for drug development but are time consuming, expensive, and often burdensome on patients. More importantly, clinical trials face uncertain outcomes due to issues with efficacy, safety, or problems with patient…

Computers and Society · Computer Science 2022-03-15 Tianfan Fu , Kexin Huang , Cao Xiao , Lucas M. Glass , Jimeng Sun

For decades, the hemagglutination-inhibition (HI) assay has been used in epidemiological and basic biological studies of influenza viruses. The mechanistic basis of the assay results (called titers) is not well understood. The first part of…

Populations and Evolution · Quantitative Biology 2011-09-13 Wilfred Ndifon

Protein-protein interaction (PPI) prediction is an important problem in machine learning and computational biology. However, there is no data set for training or evaluation purposes, where all the instances are accurately labeled. Instead,…

Artificial Intelligence · Computer Science 2015-09-21 Haohan Wang , Madhavi K. Ganapathiraju

Protein-protein interactions (PPIs) play key roles in a broad range of biological processes. Numerous strategies have been proposed for predicting PPIs, and among them, graph-based methods have demonstrated promising outcomes owing to the…

Machine Learning · Computer Science 2024-04-19 Mingda Xu , Peisheng Qian , Ziyuan Zhao , Zeng Zeng , Jianguo Chen , Weide Liu , Xulei Yang

The seasonal human influenza virus undergoes rapid evolution, leading to significant changes in circulating viral strains from year to year. These changes are typically driven by adaptive mutations, particularly in the antigenic epitopes,…

Populations and Evolution · Quantitative Biology 2024-11-28 Matthijs Meijers , Denis Ruchnewitz , Jan Eberhardt , Malancha Karmakar , Marta Łuksza , Michael Lässig

Understanding human-to-human interactions, especially in contexts like public security surveillance, is critical for monitoring and maintaining safety. Traditional activity recognition systems are limited by fixed vocabularies, predefined…

Computer Vision and Pattern Recognition · Computer Science 2025-01-03 Lala Shakti Swarup Ray , Bo Zhou , Sungho Suh , Paul Lukowicz

Protein-protein interactions (PPIs) are governed by surface complementarity and hydrophobic interactions at protein interfaces. However, designing diverse and physically realistic protein structure and surfaces that precisely complement…

Machine Learning · Computer Science 2025-11-24 Guanlue Li , Xufeng Zhao , Fang Wu , Sören Laue

Advances in artificial intelligence (AI) promise autonomous discovery, yet most systems still resurface knowledge latent in their training data. We present Sparks, a multi-modal multi-agent AI model that executes the entire discovery cycle…

Artificial Intelligence · Computer Science 2025-04-29 Alireza Ghafarollahi , Markus J. Buehler

A current challenge for disease modeling and public health is understanding pathogen dynamics across scales since their ecology and evolution ultimately operate on several coupled scales. This is particularly true for vector-borne diseases,…

Populations and Evolution · Quantitative Biology 2019-12-19 Hayriye Gulbudak

Epidemiological models for the spread of pathogens in a population are usually only able to describe a single pathogen. This makes their application unrealistic in cases where multiple pathogens with similar symptoms are spreading…

Social and Information Networks · Computer Science 2018-05-16 Nir Levy , Michael Iv , Elad Yom-Tov

This work addresses a new challenge of understanding human nonverbal interaction in social contexts. Nonverbal signals pervade virtually every communicative act. Our gestures, facial expressions, postures, gaze, even physical appearance all…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Jianan Wei , Tianfei Zhou , Yi Yang , Wenguan Wang

The aftermath of influenza infection is determined by a complex set of host-pathogen interactions, where genomic variability on both viral and host sides influences the final outcome. Although there exists large body of literature…

Populations and Evolution · Quantitative Biology 2014-09-09 Ana Carolina Arcanjo , Giovanni Mazzocco , Silviene Fabiana de Oliveira , Dariusz Plewczynski , Jan P. Radomski