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Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Unravelling protein distributions within individual cells is key to understanding their function and state and indispensable to developing new treatments. Here we present the Hybrid subCellular Protein Localiser (HCPL), which learns from…

Computer Vision and Pattern Recognition · Computer Science 2022-09-20 Syed Sameed Husain , Eng-Jon Ong , Dmitry Minskiy , Mikel Bober-Irizar , Amaia Irizar , Miroslaw Bober

Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. While existing works have typically focused on comparing models…

Machine Learning · Computer Science 2026-01-22 Kangyu Zheng , Kai Zhang , Jiale Tan , Xuehan Chen , Yingzhou Lu , Zaixi Zhang , Lichao Sun , Marinka Zitnik , Tianfan Fu , Zhiding Liang

Complex networks can be understood as graphs whose connectivity deviates from those of regular or near-regular graphs, which are understood as being `simple'. While a great deal of the attention so far dedicated to complex networks has been…

Data Analysis, Statistics and Probability · Physics 2008-08-29 Luciano da Fontoura Costa , Francisco A. Rodrigues

Breast cancer's complexity and variability pose significant challenges in understanding its progression and guiding effective treatment. This study aims to integrate protein sequence data with expression levels to improve the molecular…

Biomolecules · Quantitative Biology 2025-10-31 Hossein Sholehrasa , Majid Jaberi-Douraki

Change-point detection in dynamic networks has received much attention due to its broad applications in social networks and biological systems. Kernel-based methods have shown strong potential for this problem. However, their performance…

Methodology · Statistics 2026-05-15 Mingxuan Sun , Hao Chen

Causal relationships are commonly examined in manufacturing processes to support faults investigations, perform interventions, and make strategic decisions. Industry 4.0 has made available an increasing amount of data that enable…

Machine Learning · Computer Science 2022-08-03 Giovanni Menegozzo , Diego Dall'Alba , Paolo Fiorini

Robustness of biochemical systems has become one of the central questions in Systems Biology, although it is notoriously difficult to formally capture its multifaceted nature. Maintenance of normal system function depends not only on the…

Molecular Networks · Quantitative Biology 2012-03-28 Jost Neigenfind , Sergio Grimbs , Zoran Nikoloski

Based on the classical Degree Corrected Stochastic Blockmodel (DCSBM) model for network community detection problem, we propose two novel approaches: principal component clustering (PCC) and normalized principal component clustering (NPCC).…

Machine Learning · Statistics 2020-11-11 Huan Qing , Jingli Wang

Advances in bioinformatics are primarily due to new algorithms for processing diverse biological data sources. While sophisticated alignment algorithms have been pivotal in analyzing biological sequences, deep learning has substantially…

Empirical scoring functions based on either molecular force fields or cheminformatics descriptors are widely used, in conjunction with molecular docking, during the early stages of drug discovery to predict potency and binding affinity of a…

Machine Learning · Computer Science 2017-03-31 Joseph Gomes , Bharath Ramsundar , Evan N. Feinberg , Vijay S. Pande

Understanding how protein mutations affect protein-nucleic acid binding is critical for unraveling disease mechanisms and advancing therapies. Current experimental approaches are laborious, and computational methods remain limited in…

Quantitative Methods · Quantitative Biology 2025-05-30 Xiang Liu , Junjie Wee , Guo-Wei Wei

A major issue in biology is the understanding of the interactions between proteins. These interactions can be described by a network, where the proteins are modeled by nodes and the interactions by edges. The origin of these protein…

Biological Physics · Physics 2011-08-01 Christian M. Schneider , Lucilla de Arcangelis , Hans J. Herrmann

The properties of certain networks are determined by hidden variables that are not explicitly measured. The conditional probability (propagator) that a vertex with a given value of the hidden variable is connected to k of other vertices…

Quantitative Methods · Quantitative Biology 2009-11-13 Gerald A. Miller , Yi Y. Shi , Hong Qian , Karol Bomsztyk

Deep learning has become a powerful tool in computational biology, revolutionising the analysis and interpretation of biological data over time. In our article review, we delve into various aspects of deep learning in computational biology.…

The protein-ligand binding affinity (PLA) prediction goal is to predict whether or not the ligand could bind to a protein sequence. Recently, in PLA prediction, deep learning has received much attention. Two steps are involved in deep…

Quantitative Methods · Quantitative Biology 2024-05-21 Karim Abbasi , Parvin Razzaghi , Amin Ghareyazi , Hamid R. Rabiee

The computer-aided detection (CADe) systems are developed to assist pathologists in slide assessment, increasing diagnosis efficiency and reducing missing inspections. Many studies have shown such a CADe system with deep learning approaches…

Computer Vision and Pattern Recognition · Computer Science 2019-03-05 Wei-Wen Hsu , Chung-Hao Chen , Chang Hoa , Yu-Ling Hou , Xiang Gao , Yun Shao , Xueli Zhang , Jingjing Wang , Tao He , Yanghong Tai

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Understanding a complex system of relationships between courses is of great importance for the university's educational mission. This paper is dedicated to the study of course-prerequisite networks (CPNs), where nodes represent courses and…

Physics and Society · Physics 2023-05-02 Pavlos Stavrinides , Konstantin Zuev

State-of-the-art methods for protein-protein interaction (PPI) extraction are primarily feature-based or kernel-based by leveraging lexical and syntactic information. But how to incorporate such knowledge in the recent deep learning methods…

Computation and Language · Computer Science 2017-06-08 Yifan Peng , Zhiyong Lu