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Protein-protein interaction (PPI) extraction from published scientific literature provides additional support for precision medicine efforts. Meanwhile, knowledge bases (KBs) contain huge amounts of structured information of protein…

Computation and Language · Computer Science 2019-12-12 Huiwei Zhou , Xuefei Li , Weihong Yao , Zhuang Liu , Shixian Ning , Chengkun Lang , Lei Du

The study of multi-type Protein-Protein Interaction (PPI) is fundamental for understanding biological processes from a systematic perspective and revealing disease mechanisms. Existing methods suffer from significant performance degradation…

Machine Learning · Computer Science 2021-06-02 Guofeng Lv , Zhiqiang Hu , Yanguang Bi , Shaoting Zhang

Complexes of physically interacting proteins constitute fundamental functional units responsible for driving biological processes within cells. A faithful reconstruction of the entire set of complexes is therefore essential to understand…

Molecular Networks · Quantitative Biology 2015-05-21 Sriganesh Srihari , Chern Han Yong , Ashwini Patil , Limsoon Wong

Deep learning approaches achieved significant progress in predicting protein structures. These methods are often applied to protein-protein interactions (PPIs) yet require Multiple Sequence Alignment (MSA) which is unavailable for various…

Machine Learning · Computer Science 2024-06-27 Matan Halfon , Tomer Cohen , Raanan Fattal , Dina Schneidman-Duhovny

Detection of protein-protein interactions (PPIs) plays a vital role in molecular biology. Particularly, infections are caused by the interactions of host and pathogen proteins. It is important to identify host-pathogen interactions (HPIs)…

Machine Learning · Computer Science 2019-03-26 Abdul Hannan Basit , Wajid Arshad Abbasi , Amina Asif , Fayyaz Ul Amir Afsar Minhas

Complexes of physically interacting proteins are one of the fundamental functional units responsible for driving key biological mechanisms within the cell. Their identification is therefore necessary not only to understand complex formation…

Computational Engineering, Finance, and Science · Computer Science 2012-11-27 Sriganesh Srihari , Hon Wai Leong

Since proteins carry out biological processes by interacting with other proteins, analyzing the structure of protein-protein interaction (PPI) networks could explain complex biological mechanisms, evolution, and disease. Similarly, studying…

Molecular Networks · Quantitative Biology 2010-04-22 Vesna Memisevic , Tijana Milenkovic , Natasa Przulj

Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability…

Machine Learning · Computer Science 2025-10-23 Xinzhe Zheng , Hao Du , Fanding Xu , Jinzhe Li , Zhiyuan Liu , Wenkang Wang , Tao Chen , Wanli Ouyang , Stan Z. Li , Yan Lu , Nanqing Dong , Yang Zhang

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

Protein-protein interactions (PPIs) govern nearly all cellular processes, yet computational methods for identifying binding partners typically produce ranked predictions without mechanistic justification. This creates a fundamental barrier…

Quantitative Methods · Quantitative Biology 2026-05-22 Kingsley Yeon , Xuefeng Liu , Promit Ghosal

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

Machine Learning · Computer Science 2025-08-12 Xuefeng Liu , Songhao Jiang , Chih-chan Tien , Jinbo Xu , Rick Stevens

Viral infections are causing significant morbidity and mortality worldwide. Understanding the interaction patterns between a particular virus and human proteins plays a crucial role in unveiling the underlying mechanism of viral infection…

Machine Learning · Computer Science 2021-11-30 Thi Ngan Dong , Graham Brogden , Gisa Gerold , Megha Khosla

Decoding protein-protein interactions (PPIs) at the residue level is crucial for understanding cellular mechanisms and developing targeted therapeutics. We present Seq2Bind Webserver, a computational framework that leverages fine-tuned…

Quantitative Methods · Quantitative Biology 2025-06-18 Xiang Ma , Supantha Dey , Vaishnavey SR , Casey Zelinski , Qi Li , Ratul Chowdhury

Proteins are responsible for the most diverse set of functions in biology. The ability to extract information from protein sequences and to predict the effects of mutations is extremely valuable in many domains of biology and medicine.…

Quantitative Methods · Quantitative Biology 2018-01-04 Sam Sinai , Eric Kelsic , George M. Church , Martin A. Nowak

In this study, we tackle the challenging task of predicting secondary structures from protein primary sequences, a pivotal initial stride towards predicting tertiary structures, while yielding crucial insights into protein activity,…

Machine Learning · Computer Science 2025-11-18 Disha Varshney , Samarth Garg , Sarthak Tyagi , Deeksha Varshney , Nayan Deep , Asif Ekbal

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

Modeling the effects of mutations on the binding affinity plays a crucial role in protein engineering and drug design. In this study, we develop a novel deep learning based framework, named GraphPPI, to predict the binding affinity changes…

Biomolecules · Quantitative Biology 2021-09-15 Xianggen Liu , Yunan Luo , Sen Song , Jian Peng

Identifying protein functional sites (PFSs) and protein-ligand interactions (PLIs) are critically important in understanding the protein function and the involved biochemical reactions. As large amount of unknown proteins are quickly…

Biomolecules · Quantitative Biology 2017-01-30 Dengming Ming , Min Han , Xiongbo An

Infections depend on interactions between pathogen and host proteins, but comprehensively mapping these interactions is challenging and labor intensive. Many biological networks have hierarchical, scale-free structure, so we developed a…

Molecular Networks · Quantitative Biology 2025-11-19 Xiaoqiong Xia , Cesar de la Fuente-Nunez

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Biomolecules · Quantitative Biology 2024-02-09 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang