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Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

Proteins are an important class of biomolecules that serve as essential building blocks of the cells. Their three-dimensional structures are responsible for their functions. In this thesis we have investigated the protein structures using a…

Molecular Networks · Quantitative Biology 2007-11-19 Ganesh Bagler

As the number of solved protein structures increases, the opportunities for meta-analysis of this dataset increase too. Protein structures are known to be formed of domains; structural and functional subunits that are often repeated across…

Biomolecules · Quantitative Biology 2018-09-19 William P. Grant , Sebastian E. Ahnert

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

Automatically extracting Protein-Protein Interactions (PPI) from biomedical literature provides additional support for precision medicine efforts. This paper proposes a novel memory network-based model (MNM) for PPI extraction, which…

Computation and Language · Computer Science 2020-01-08 Huiwei Zhou , Zhuang Liu , Shixian Ning , Yunlong Yang , Chengkun Lang , Yingyu Lin , Kun Ma

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

Machine Learning · Computer Science 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang

Computational protein design has a wide variety of applications. Despite its remarkable success, designing a protein for a given structure and function is still a challenging task. On the other hand, the number of solved protein structures…

Quantitative Methods · Quantitative Biology 2018-04-26 Jingxue Wang , Huali Cao , John Z. H. Zhang , Yifei Qi

Understanding cell identity is an important task in many biomedical areas. Expression patterns of specific marker genes have been used to characterize some limited cell types, but exclusive markers are not available for many cell types. A…

Protein Contact Network (PCN) is a powerful tool for analysing the structure and function of proteins. In particular, PCN has been used for disclosing the molecular features of allosteric regulation through PCN clustering. Such analysis is…

Quantitative Methods · Quantitative Biology 2022-01-18 Pietro Hiram Guzzi , Luisa Di Paola , Alessandro Giuliani , Pierangelo Veltri

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Employing part-level features for pedestrian image description offers fine-grained information and has been verified as beneficial for person retrieval in very recent literature. A prerequisite of part discovery is that each part should be…

Computer Vision and Pattern Recognition · Computer Science 2018-01-10 Yifan Sun , Liang Zheng , Yi Yang , Qi Tian , Shengjin Wang

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Biomolecules · Quantitative Biology 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

Defect detection is a basic and essential task in automatic parts production, especially for automotive engine precision parts. In this paper, we propose a new idea to construct a deep convolutional network combining related knowledge of…

Computer Vision and Pattern Recognition · Computer Science 2018-10-30 Zhenshen Qu , Jianxiong Shen , Ruikun Li , Junyu Liu , Qiuyu Guan

Network alignment, or the task of finding meaningful node correspondences between nodes in different graphs, is an important graph mining task with many scientific and industrial applications. An important principle for network alignment is…

Social and Information Networks · Computer Science 2021-01-25 Mark Heimann , Xiyuan Chen , Fatemeh Vahedian , Danai Koutra

Liquid chromatography with tandem mass spectrometry (LC-MS/MS) based proteomics is a well-established research field with major applications such as identification of disease biomarkers, drug discovery, drug design and development. In…

Quantitative Methods · Quantitative Biology 2018-01-08 Fatema Tuz Zohora , Ngoc Hieu Tran , Xianglilan Zhang , Lei Xin , Baozhen Shan , Ming Li

Physics-informed neural networks (PINNs) are a versatile tool in the burgeoning field of scientific machine learning for solving partial differential equations (PDEs). However, determining suitable training strategies for them is not…

Numerical Analysis · Mathematics 2026-03-09 Saad Qadeer , Panos Stinis

Accurate prediction of protein-ligand binding affinity is crucial for rapid and efficient drug development. Recently, the importance of predicting binding affinity has led to increased attention on research that models the three-dimensional…

Machine Learning · Computer Science 2024-07-17 Seungyeon Choi , Sangmin Seo , Sanghyun Park

The Critical Node Problem (CNP) is to identify a subset of nodes in a graph whose removal maximally degrades pairwise connectivity. The CNP is an important variant of the Critical Node Detection Problem (CNDP) with wide applications. Due to…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-09-04 Biqing Fang , Hai Wan , Shaowei Cai , Zejie Cai

Background: Single-particle cryo-electron microscopy (cryo-EM) has become a popular tool for structural determination of biological macromolecular complexes. High-resolution cryo-EM reconstruction often requires hundreds of thousands of…

Data Analysis, Statistics and Probability · Physics 2017-09-05 Yanan Zhu , Qi Ouyang , Youdong Mao

Determining the localization of specific protein in human cells is important for understanding cellular functions and biological processes of underlying diseases. Among imaging techniques, high-throughput fluorescence microscopy imaging is…

Computer Vision and Pattern Recognition · Computer Science 2019-02-01 Yijun Tian