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This study introduces a nonparametric definition of interaction and provides an approach to both interaction discovery and efficient estimation of this parameter. Using stochastic shift interventions and ensemble machine learning, our…

Methodology · Statistics 2024-07-01 David B. McCoy , Alan E. Hubbard , Alejandro Schuler , Mark J. van der Laan

Host-to-host variability with respect to interactions between microorganisms and multicellular hosts are commonly observed in infection and in homeostasis. However, the majority of mechanistic models used in analyzing host-microorganism…

Populations and Evolution · Quantitative Biology 2015-06-19 Sayak Mukherjee , Kristin E. Weimer , Sang-Cheol Seok , Will C. Ray , C. Jayaprakash , Veronica J. Vieland , W. Edward Swords , Jayajit Das

Infectious disease dynamics operate across multiple biological scales, with within-host viral dynamics being a key driver of between-host transmission. However, while models that explicitly link these scales exist, none have been developed…

Applications · Statistics 2026-04-23 Dylan J. Morris , Lauren Kennedy , Andrew J. Black

Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either…

Machine Learning · Computer Science 2026-04-28 Chupei Tang , Junxiao Kong , Moyu Tang , Di Wang , Jixiu Zhai , Ronghao Xie , Shangkun Sima , Tianchi Lu

A goal of computational studies of protein-protein interfaces (PPIs) is to predict the binding site between two monomers that form a heterodimer. The simplest version of this problem is to rigidly re-dock the bound forms of the monomers,…

Biomolecules · Quantitative Biology 2026-01-08 Jacob Sumner , Grace Meng , Naomi Brandt , Alex T. Grigas , Andrés Córdoba , Mark D. Shattuck , Corey S. O'Hern

In the era of big data, there is an increasing need for healthcare providers, communities, and researchers to share data and collaborate to improve health outcomes, generate valuable insights, and advance research. The Health Insurance…

Cryptography and Security · Computer Science 2023-05-23 Kai Zhang , Xiaoqian Jiang

Lipid-protein interactions play essential roles in cellular signaling and membrane dynamics, yet their systematic characterization has long been hindered by the inherent biochemical properties of lipids. Recent advances in functionalized…

Quantitative Methods · Quantitative Biology 2025-08-01 Gaelen Guzman , André Nadler , Frank Stein , Jeremy M. Baskin , Carsten Schultz , Fikadu Tafesse

The Integration Host Factor (IHF) is a nucleoid-associated protein critical for both DNA compaction and biofilm stability. While its role in DNA packaging within the cell is well understood, its structural role in scaffolding biofilms is…

The COVID-19 pandemic exposed critical gaps in our ability to predict viral emergence and trajectory. Moving beyond sequence-dependent surveillance, we introduce V-Reactor Dynamics, a physics-based framework that models host-virus…

Biological Physics · Physics 2026-02-06 Yong-Shou Chen

Increasing autonomous vehicles (AVs) in transportation systems makes effective interactions between AVs and pedestrians indispensable. External human--machine interface (eHMI), which employs visual or auditory cues to explicitly convey…

Human-Computer Interaction · Computer Science 2026-01-01 Boya Sun , Haotian Shi , Ying Ni , Shaocheng Jia , Haoyang Liang

Modeling feature interactions in tabular data remains a key challenge in predictive modeling, for example, as used for insurance pricing. This paper proposes the Tree-like Pairwise Interaction Network (PIN), a novel neural network…

Machine Learning · Statistics 2025-08-22 Ronald Richman , Salvatore Scognamiglio , Mario V. Wüthrich

Viruses are submicroscopic agents that can infect all kinds of lifeforms and use their hosts' living cells to replicate themselves. Despite having some of the simplest genetic structures among all living beings, viruses are highly…

Computer Vision and Pattern Recognition · Computer Science 2024-05-27 Niloy Sikder , Md. Al-Masrur Khan , Anupam Kumar Bairagi , Mehedi Masud , Jun Jiat Tiang , Abdullah-Al Nahid

The widespread of Coronavirus has led to a worldwide pandemic with a high mortality rate. Currently, the knowledge accumulated from different studies about this virus is very limited. Leveraging a wide-range of biological knowledge, such as…

Molecular Networks · Quantitative Biology 2021-03-09 Junheng Hao , Chelsea Ju , Muhao Chen , Yizhou Sun , Carlo Zaniolo , Wei Wang

The increase in the connectivity between hosts in recent times has facilitated the emergence of more aggressive mutant viral strains, making their containment and eradication significantly more challenging compared to the original variants.…

Populations and Evolution · Quantitative Biology 2025-02-27 Javier López-Pedrares , M. Elena Vázquez-Cendón , Alberto P. Muñuzuri

In drug discovery, structure-based virtual high-throughput screening (vHTS) campaigns aim to identify bioactive ligands or "hits" for therapeutic protein targets from docked poses at specific binding sites. However, while generally…

Quantitative Methods · Quantitative Biology 2021-12-03 Pawel Gniewek , Bradley Worley , Kate Stafford , Henry van den Bedem , Brandon Anderson

Vector-borne diseases often infect multiple host species, increasing the likelihood of disease persistence due to the presence of multiple reservoirs. Vector biting patterns and feeding preferences can shift in response to selective…

Populations and Evolution · Quantitative Biology 2026-05-01 Shravani Shetgaonkar , Anupama Sharma

In ecological systems heterogeneous interactions between pathogens take place simultaneously. This occurs, for instance, when two pathogens cooperate, while at the same time multiple strains of these pathogens co-circulate and compete.…

Populations and Evolution · Quantitative Biology 2025-05-05 Francesco Pinotti , Fakhteh Ghanbarnejad , Philipp Hövel , Chiara Poletto

Protein language models leverage evolutionary information to perform state-of-the-art 3D structure and zero-shot variant prediction. Yet, extracting and explaining all the mutational interactions that govern model predictions remains…

Biomolecules · Quantitative Biology 2024-05-14 Darin Tsui , Amirali Aghazadeh

Motivation: High-throughput experimental techniques have been producing more and more protein-protein interaction (PPI) data. PPI network alignment greatly benefits the understanding of evolutionary relationship among species, helps…

Data Structures and Algorithms · Computer Science 2016-04-13 Somaye Hashemifar , Qixing Huang , Jinbo XU

Predicting protein-protein interactions from sequences is an important goal of computational biology. Various sources of information can be used to this end. Starting from the sequences of two interacting protein families, one can use…

Biomolecules · Quantitative Biology 2023-04-26 Carlos A. Gandarilla-Perez , Sergio Pinilla , Anne-Florence Bitbol , Martin Weigt
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