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Discovering patterns in networks of protein-protein interactions (PPIs) is a central problem in systems biology. Alignments between these networks aid functional understanding as they uncover important information, such as evolutionary…

Molecular Networks · Quantitative Biology 2014-11-04 Vladimir Gligorijević , Noël Malod-Dognin , Nataša Pržulj

We introduce DiffFit, a differentiable algorithm for fitting protein atomistic structures into an experimental reconstructed Cryo-Electron Microscopy (cryo-EM) volume map. In structural biology, this process is necessary to…

Quantitative Methods · Quantitative Biology 2025-01-09 Deng Luo , Zainab Alsuwaykit , Dawar Khan , Ondřej Strnad , Tobias Isenberg , Ivan Viola

A major part of membrane function is conducted by proteins, both integral and peripheral. Peripheral membrane proteins temporarily adhere to biological membranes, either to the lipid bilayer or to integral membrane proteins with…

Biomolecules · Quantitative Biology 2014-06-27 Katerina C. Nastou , Georgios N. Tsaousis , Kimon E. Kremizas , Zoi I. Litou , Stavros J. Hamodrakas

Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the…

Biomolecules · Quantitative Biology 2024-02-07 Chenqing Hua , Connor Coley , Guy Wolf , Doina Precup , Shuangjia Zheng

The study of biological processes can greatly benefit from tools that automatically predict gene functions or directly cluster genes based on shared functionality. Existing data mining methods predict protein functionality by exploiting…

Machine Learning · Computer Science 2020-11-20 Kaiyu Shen , Razvan Bunescu , Sarah E. Wyatt

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over…

Applications · Statistics 2015-01-19 Abel Rodriguez , Scott C. Schmidler

Protein-protein interactions (protein functionalities) are mediated by water, which compacts individual proteins and promotes close and temporarily stable large-area protein-protein interfaces. Proteins are peptide chains decorated by amino…

Soft Condensed Matter · Physics 2008-02-26 J. C. Phillips

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Geometric and structural constraints greatly restrict the selection of folds adapted by protein backbones, and yet, folded proteins show an astounding diversity in functionality. For structure to have any bearing on function, it is thus…

Biological Physics · Physics 2010-04-20 Brinda K. V. , Saraswathi Vishveshwara , Smitha Vishveshwara

Identifying interactions between proteins is important to understand underlying biological processes. Extracting a protein-protein interaction (PPI) from the raw text is often very difficult. Previous supervised learning methods have used…

Quantitative Methods · Quantitative Biology 2018-08-10 Mahtab Ahmed , Jumayel Islam , Muhammad Rifayat Samee , Robert E. Mercer

Protein-protein interaction networks are useful for studying human diseases and to look for possible health care through a holistic approach. Networks are playing an increasing and important role in the understanding of physiological…

Molecular Networks · Quantitative Biology 2013-02-28 Ankush Sharma , Susan Costantini , Giovanni Colonna

Proteins are macromolecules that mediate a significant fraction of the cellular processes that underlie life. An important task in bioengineering is designing proteins with specific 3D structures and chemical properties which enable…

Quantitative Methods · Quantitative Biology 2022-05-31 Namrata Anand , Tudor Achim

Accurate identification of interactions between protein residues and ligand functional groups is essential to understand molecular recognition and guide rational drug design. Existing deep learning approaches for protein-ligand…

Machine Learning · Computer Science 2025-09-04 Phuc Pham , Viet Thanh Duy Nguyen , Truong-Son Hy

Mapping between sequence and structure is currently an open problem in structural biology. Despite many experimental and computational efforts it is not clear yet how the structure is encoded in the sequence. Answering this question may…

Biomolecules · Quantitative Biology 2013-10-08 Iddo Friedberg

Brain imaging analysis is fundamental in neuroscience, providing valuable insights into brain structure and function. Traditional workflows follow a sequential pipeline-brain extraction, registration, segmentation, parcellation, network…

Image and Video Processing · Electrical Eng. & Systems 2025-02-27 Yao Su , Keqi Han , Mingjie Zeng , Lichao Sun , Liang Zhan , Carl Yang , Lifang He , Xiangnan Kong

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Motivation: Protein interactions are fundamental building blocks of biochemical reaction systems underlying cellular functions. The complexity and functionality of such systems emerge not from the protein interactions themselves but from…

Molecular Networks · Quantitative Biology 2011-06-15 Johannes Köster , Eli Zamir , Sven Rahmann

In this paper, we consider the statistical analysis of a protein interaction network. We propose a Bayesian model that uses a hierarchy of probabilistic assumptions about the way proteins interact with one another in order to: (i) identify…

Molecular Networks · Quantitative Biology 2007-11-15 Edoardo M Airoldi , David M Blei , Stephen E Fienberg , Eric P Xing

Flow-Imaging Microscopy (FIM) is commonly used in both academia and industry to characterize subvisible particles (those $\le 25 \mu m$ in size) in protein therapeutics. Pharmaceutical companies are required to record vast volumes of FIM…

Quantitative Methods · Quantitative Biology 2017-09-04 Christopher P. Calderon , Austin L. Daniels , Theodore W. Randolph

Structural assessment of biomolecular complexes is vital for translating molecular models into functional insights, shaping our understanding of biology and aiding drug discovery. However, current structure-based scoring functions often…

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