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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

In this perspective article, we present a multidisciplinary approach for characterizing protein structure networks. We first place our approach in its historical context and describe the manner in which it synthesizes concepts from quantum…

Molecular Networks · Quantitative Biology 2019-12-30 Vasundhara Gadiyaram , Smitha Vishveshwara , Saraswathi Vishveshwara

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

Biomolecular condensates, physically underpinned to a significant extent by liquid-liquid phase separation (LLPS), are now widely recognized by numerous experimental studies to be of fundamental biological, biomedical, and biophysical…

Biomolecules · Quantitative Biology 2022-10-18 Yi-Hsuan Lin , Jonas Wessén , Tanmoy Pal , Suman Das , Hue Sun Chan

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

The conformations available to polypeptides are determined by the interatomic forces acting on the peptide units, whereby backbone torsion angles are restricted as described by the Ramachandran plot. Although typical proteins are composed…

Biomolecules · Quantitative Biology 2013-02-11 Anil Korkut , Wayne A Hendrickson

In a shotgun proteomics experiment, proteins are the most biologically meaningful output. The success of proteomics studies depends on the ability to accurately and efficiently identify proteins. Many methods have been proposed to…

Quantitative Methods · Quantitative Biology 2012-11-30 Chao Yang , Zengyou He , Weichuan Yu

Understanding protein solubility is essential for their functional applications. Computational methods for predicting protein solubility are crucial for reducing experimental costs and enhancing the efficiency and success rates of protein…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Jia Zheng , Liang Hong , Bingxin Zhou

Porous gels -- gels with solvent-filled pores that are much larger than their mesh size -- are widely used in engineering and biomedical applications due to their tunable mechanics, high water content, and selective permeability. Among…

Soft Condensed Matter · Physics 2025-08-22 Yanxia Feng , Noel Ringeisen , Eric R. Dufresne , Lucio Isa , Robert W. Style

Phenomenological screening of small molecule libraries for anticancer activity yields potentially interesting candidate molecules, with a bottleneck in the determination of drug targets and the mechanism of anticancer action. A novel…

Molecular Networks · Quantitative Biology 2015-06-11 Alexey Chernobrovkin , Consuelo Marin Vicente , Neus Visa , Roman A. Zubarev

Phase separation of various materials has been studied for one and a half centuries. In the last two decades, phase separation of proteins and nucleic acids has received enormous attention, due its relevance to cellular functions. However,…

Soft Condensed Matter · Physics 2026-05-28 Huan-Xiang Zhou

Protein design with desirable properties has been a significant challenge for many decades. Generative artificial intelligence is a promising approach and has achieved great success in various protein generation tasks. Notably, diffusion…

Proteinoids -- thermal proteins -- are produced by heating amino acids to their melting point and initiation of polymerisation to produce polymeric chains. Proteinoids swell in aqueous solution into hollow microspheres. The proteinoid…

Emerging Technologies · Computer Science 2021-06-03 Andrew Adamatzky

In this research, we consider a mixture of genome fragments of a certain bacteria set. The problem of mixture separation is studied under the assumption that all the genomes present in the mixture are completely sequenced or are close to…

Genomics · Quantitative Biology 2012-03-12 Valery Kirzhner , Zeev Volkovich

The mechanism by which silver staining of proteins in polyacrylamide gels interferes with mass spectrometry of peptides produced by proteolysis has been investigated. It was demonstrated that this interference increases with time between…

Data mining techniques have been used by researchers for analyzing protein sequences. In protein analysis, especially in protein sequence classification, selection of feature is most important. Popular protein sequence classification…

Databases · Computer Science 2012-11-22 Suprativ Saha , Rituparna Chaki

Partitioning of (bio)materials in polymeric mixtures is a key phenomenon both in cellular environments, as well as in industrial applications. In cells, several macromolecules are suspended within different biomolecular phases. On the other…

Soft Condensed Matter · Physics 2025-10-15 Vikki Anand Varma , Alberto Scacchi

Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…

Chemical Physics · Physics 2021-03-05 Ciro A. Guido , Enzo Rotunno , Matteo Zanfrognini , Stefano Corni , Vincenzo Grillo

We propose an energy-based model (EBM) of protein conformations that operates at atomic scale. The model is trained solely on crystallized protein data. By contrast, existing approaches for scoring conformations use energy functions that…

Machine Learning · Computer Science 2020-04-29 Yilun Du , Joshua Meier , Jerry Ma , Rob Fergus , Alexander Rives

Protein corona formation and nanoparticle aggregation have been heavily discussed over the last years since the lack of fine-mapping of these two combined effects has hindered the targeted delivery evolution and the personalized…

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