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Information on protein-protein interactions (PPIs) not only advances our understanding of molecular biology but also provides important clues for target selection in drug discovery and the design of PPI inhibitors. One of the techniques…

Biomolecules · Quantitative Biology 2021-05-11 Masahito Ohue , Yutaka Akiyama

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Large language models (LLMs) are widely used for natural language understanding and text generation. An LLM model relies on a time-consuming step called LLM decoding to generate output tokens. Several prior works focus on improving the…

Hardware Architecture · Computer Science 2025-02-28 Yintao He , Haiyu Mao , Christina Giannoula , Mohammad Sadrosadati , Juan Gómez-Luna , Huawei Li , Xiaowei Li , Ying Wang , Onur Mutlu

The protein-protein interactions (PPIs) are crucial for understanding the majority of cellular processes. PPIs play important role in gene transcription regulation, cellular signaling, molecular basis of immune response and more. Moreover,…

Biomolecules · Quantitative Biology 2016-05-31 Maciej Pawel Ciemny , Mateusz Kurcinski , Andrzej Kolinski , Sebastian Kmiecik

Protein-protein interaction (PPI) prediction plays a pivotal role in deciphering cellular functions and disease mechanisms. To address the limitations of traditional experimental methods and existing computational approaches in cross-modal…

Machine Learning · Computer Science 2025-04-29 Shengrui XU , Tianchi Lu , Zikun Wang , Jixiu Zhai

Protein-protein interactions (PPIs) are critical to normal cellular function and are related to many disease pathways. However, only 4% of PPIs are annotated with PTMs in biological knowledge databases such as IntAct, mainly performed…

Machine Learning · Computer Science 2022-01-10 Aparna Elangovan , Yuan Li , Douglas E. V. Pires , Melissa J. Davis , Karin Verspoor

Computationally predicting protein-protein interactions (PPIs) is challenging due to the lack of integrated, multimodal protein representations. DPEB is a curated collection of 22,043 human proteins that integrates four embedding types:…

Molecular interactions have widely been modelled as networks. The local wiring patterns around molecules in molecular networks are linked with their biological functions. However, networks model only pairwise interactions between molecules…

Molecular Networks · Quantitative Biology 2018-09-21 Thomas Gaudelet , Noel Malod-Dognin , Natasa Przulj

Protein language models (PLMs) have demonstrated remarkable success in protein modeling and design, yet their internal mechanisms for predicting structure and function remain poorly understood. Here we present a systematic approach to…

Biomolecules · Quantitative Biology 2024-12-18 Elana Simon , James Zou

Motivation: Protein-protein interactions (PPIs) are usually modelled as networks. These networks have extensively been studied using graphlets, small induced subgraphs capturing the local wiring patterns around nodes in networks. They…

Molecular Networks · Quantitative Biology 2018-04-13 Noel Malod-Dognin , Natasa Przulj

Recent advancements in large multimodal models (LMMs) have leveraged extensive multimodal datasets to enhance capabilities in complex knowledge-driven tasks. However, persistent challenges in perceptual and reasoning errors limit their…

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Learning language of protein sequences, which captures non-local interactions between amino acids close in the spatial structure, is a long-standing bioinformatics challenge, which requires at least context-free grammars. However, complex…

Formal Languages and Automata Theory · Computer Science 2019-03-20 Witold Dyrka , François Coste , Juliette Talibart

CLIP is a seminal multimodal model that maps images and text into a shared representation space through contrastive learning on billions of image-caption pairs. Inspired by the rapid progress of large language models (LLMs), we investigate…

Computer Vision and Pattern Recognition · Computer Science 2026-02-26 Weiquan Huang , Aoqi Wu , Yifan Yang , Xufang Luo , Yuqing Yang , Usman Naseem , Chunyu Wang , Chunyu Wang , Qi Dai , Xiyang Dai , Dongdong Chen , Chong Luo , Lili Qiu , Liang Hu

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

Protein-protein interaction extraction is the key precondition of the construction of protein knowledge network, and it is very important for the research in the biomedicine. This paper extracted directional protein-protein interaction from…

Computation and Language · Computer Science 2014-08-25 Peilei Liu , Ting Wang

The Prostate Imaging Reporting and Data System (PI-RADS) is pivotal in the diagnosis of clinically significant prostate cancer through MRI imaging. Current deep learning-based PI-RADS scoring methods often lack the incorporation of common…

Computer Vision and Pattern Recognition · Computer Science 2024-07-11 Tiantian Zhang , Manxi Lin , Hongda Guo , Xiaofan Zhang , Ka Fung Peter Chiu , Aasa Feragen , Qi Dou

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

How do living cells achieve sufficient abundances of functional protein complexes while minimizing promiscuous non-functional interactions? Here we study this problem using a first-principle model of the cell whose phenotypic traits are…

Biomolecules · Quantitative Biology 2011-01-04 Muyoung Heo , Sergei Maslov , Eugene I. Shakhnovich

With the exponential increase of the protein sequence databases over time, multiple-sequence alignment (MSA) methods, like PSI-BLAST, perform exhaustive and time-consuming database search to retrieve evolutionary information. The resulting…

Quantitative Methods · Quantitative Biology 2023-08-21 Issar Arab
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