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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

Multi-site studies are becoming important to increase statistical power, enhance generalizability, and to improve the likelihood of pooling relevant subgroups together activities. Even with harmonized imaging sequences, site-dependent…

Neurons and Cognition · Quantitative Biology 2019-09-11 Sumra Bari , Enrico Amico , Nicole Vike , Thomas M. Talavage , Joaquín Goñi

Identification of nearly all proteins in a system using data-dependent acquisition (DDA) mass spectrometry has become routine for simple organisms, such as bacteria and yeast. Still, quantification of the identified proteins may be a…

Quantitative Methods · Quantitative Biology 2019-01-21 Jesse G. Meyer

Proteins are inherently multiscale physical systems whose functional properties emerge from coordinated structural organization across multiple spatial resolutions, ranging from atomic interactions to global fold topology. However, existing…

Machine Learning · Computer Science 2026-05-13 Viet Thanh Duy Nguyen , John K. Johnstone , Truong-Son Hy

Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized…

Biomolecules · Quantitative Biology 2019-02-04 Mohammed AlQuraishi

Kinase-targeted drug design is challenging. It requires designing inhibitors that can bind to specific kinases when all kinase catalytic domains share a common folding scaffold that binds ATP. Thus, obtaining the desired selectivity, given…

Biomolecules · Quantitative Biology 2021-04-28 Zheng Zhao , Philip E. Bourne

the MIAPE Gel Electrophoresis (MIAPE-GE) guidelines specify the minimum information that should be provided when reporting the use of n-dimensional gel electrophoresis in a proteomics experiment. Developed through a joint effort between the…

The proteasome is a large biomolecular complex responsible for protein degradation. It is under intense research due to its fundamental role in cellular homeostasis, and tremendous potential for medicinal applications. Recent data from…

Biological Physics · Physics 2020-12-08 Michal H. Kolář , Lars V. Bock , Helmut Grubmüller

Recent studies suggest a potential link between the physical structure of mitochondria and neurodegenerative diseases. With advances in Electron Microscopy techniques, it has become possible to visualize the boundary and internal membrane…

Computer Vision and Pattern Recognition · Computer Science 2025-02-11 Faris Serdar Taşel , Efe Çiftci

When studying multi-body protein complexes, biochemists use computational tools that can suggest hundreds or thousands of their possible spatial configurations. However, it is not feasible to experimentally verify more than only a very…

Human-Computer Interaction · Computer Science 2019-09-25 Katarína Furmanová , Adam Jurčík , Barbora Kozlíková , Helwig Hauser , Jan Byška

The recent improvements in cryo-electron microscopy (cryo-EM) in the past few years are now allowing to observe molecular complexes at atomic resolution. As a consequence, numerous structures derived from cryo-EM are now available in the…

Biomolecules · Quantitative Biology 2020-05-04 Mikael Trellet , Gydo van Zundert , Alexandre M. J. J. Bonvin

Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools.…

Biological Physics · Physics 2019-11-25 Frank Noé , Gianni De Fabritiis , Cecilia Clementi

Predicting the three-dimensional (3D) functional structures of proteins remains an important computational milestone in molecular biology to be achieved. This feat is hinged on a clear understanding of the mechanism which proteins use to…

Biomolecules · Quantitative Biology 2019-11-28 Samuel Nkrumah

Knowing the location of a protein within the cell is important for understanding its function, role in biological processes, and potential use as a drug target. Much progress has been made in developing computational methods that predict…

Quantitative Methods · Quantitative Biology 2013-08-02 Ramanuja Simha , Hagit Shatkay

Despite recent advancements in deep learning methods for protein structure prediction and representation, little focus has been directed at the simultaneous inclusion and prediction of protein backbone and sidechain structure information.…

Biomolecules · Quantitative Biology 2020-11-17 Jonathan E. King , David Ryan Koes

We introduce a new, simplified model of proteins, which we call protein metastructure. The metastructure of a protein carries information about its secondary structure and $\beta$-strand conformations. Furthermore, protein metastructure…

Biomolecules · Quantitative Biology 2021-11-30 Jørgen Ellegaard Andersen , Hiroyuki Fuji , Yuki Koyanagi

How proteins fold remains a central unsolved problem in biology. While the idea of a folding code embedded in the amino acid sequence was introduced more than 6 decades ago, this code remains undefined. While we now have powerful predictive…

Biomolecules · Quantitative Biology 2025-11-04 Carlos Bustamante , Christian Kaiser , Erik Lindahl , Robert Sosa , Giovanni Volpe

The way organs are positioned and moved in the workplace can cause pain and physical harm. Therefore, ergonomists use ergonomic risk assessments based on visual observation of the workplace, or review pictures and videos taken in the…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 Amin Ahmadi Kasani , Hedieh Sajedi

In biomedical imaging, deep learning-based methods are state-of-the-art for every modality (virtual slides, MRI, etc.) In histopathology, these methods can be used to detect certain biomarkers or classify lesions. However, such techniques…

Computer Vision and Pattern Recognition · Computer Science 2023-03-10 Adrien Nivaggioli , Nicolas Pozin , Rémy Peyret , Stéphane Sockeel , Marie Sockeel , Nicolas Nerrienet , Marceau Clavel , Clara Simmat , Catherine Miquel

Human body part parsing, or human semantic part segmentation, is fundamental to many computer vision tasks. In conventional semantic segmentation methods, the ground truth segmentations are provided, and fully convolutional networks (FCN)…

Computer Vision and Pattern Recognition · Computer Science 2018-05-14 Hao-Shu Fang , Guansong Lu , Xiaolin Fang , Jianwen Xie , Yu-Wing Tai , Cewu Lu