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Intricate comparison between two given tertiary structures of proteins is as important as the comparison of their functions. Several algorithms have been devised to compute the similarity and dissimilarity among protein structures. But,…

Computational Geometry · Computer Science 2013-09-26 Ranjeet Kumar Rout , Pabitra Pal Choudhury , B. S. Daya Sagar , Sk. Sarif Hassan

Inside a cell, heterotypic proteins assemble in inhomogeneous, crowded systems where the abundance of these proteins vary with cell types. While some protein complexes form putative structures that can be visualized with imaging, there are…

Biomolecules · Quantitative Biology 2021-09-15 Andrei G. Gasic , Atrayee Sarkar , Margaret S. Cheung

Recent advances in single cell sequencing and multi-omics techniques have significantly improved our understanding of biological phenomena and our capacity to model them. Despite combined capture of data modalities showing similar progress,…

Molecular Networks · Quantitative Biology 2025-03-13 Marcello Barylli , Joyaditya Saha , Tineke E. Buffart , Jan Koster , Kristiaan J. Lenos , Louis Vermeulen , Vivek M. Sheraton

Many complex systems can be represented as networks composed by distinct layers, interacting and depending on each others. For example, in biology, a good description of the full protein-protein interactome requires, for some organisms, up…

Physics and Society · Physics 2015-04-24 M. De Domenico , V. Nicosia , A. Arenas , V. Latora

The prediction of the three-dimensional native structure of proteins from the knowledge of their amino acid sequence, known as the protein folding problem, is one of the most important yet unsolved issues of modern science. Since the…

Biological Physics · Physics 2008-11-24 Pablo Echenique

In post genomic era with the advent of new technologies a huge amount of complex molecular data are generated with high throughput. The management of this biological data is definitely a challenging task due to complexity and heterogeneity…

Databases · Computer Science 2014-03-13 Ananya Bose , Suprativ Saha

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

``Seeding'' is the addition of preformed fibrils to a solution of monomeric protein to accelerate its aggregation into new fibrils. It is a versatile and widely-used tool for scientists studying protein aggregation kinetics, as it enables…

Chemical Physics · Physics 2025-10-30 Alexander J. Dear , Georg Meisl , Jing Hu , Tuomas P. J. Knowles , Sara Linse

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

Interactions between biomolecules, electrons and protons are essential to many fundamental processes sustaining life. It is therefore of interest to build mathematical models of these bioelectrical processes not only to enhance…

Molecular Networks · Quantitative Biology 2020-12-08 Peter J. Gawthrop , Michael Pan

We report an alternative method for electrophoretic separation of large DNAs using steric confinement between solid walls, without gel or obstacles. The change of electrophoretic mobility vs confinement thickness is investigated using…

Soft Condensed Matter · Physics 2011-11-09 Jérôme Mathé , Jean-Marc Di Meglio , Bernard Tinland

Tautomers are ubiquitous throughout chemistry, and typically considered inseparable in solution. Yet (bio)chemical activity is highly tautomer specific, with common examples being the amino and nucleic acids. While tautomers exist in an…

Chemical Physics · Physics 2024-03-26 Grite L. Abma , Michael A. Parkes , Daniel A. Horke

The techniques of principal and independent component analysis are applied to images of ultracold atoms. As an illustrative example, we present the use of these model-independent methods to rapidly determine the differential phase of a BEC…

Atomic Physics · Physics 2010-05-07 Stephen R. Segal , Quentin Diot , Eric A. Cornell , Alex A. Zozulya , Dana Z. Anderson

Intrinsically disordered proteins and regions are increasingly appreciated for their abundance in the proteome and the many functional roles they play in the cell. In this short review, we describe a variety of approaches used to obtain…

Biological Physics · Physics 2024-12-31 Zi Hao Liu , Maria Tsanai , Oufan Zhang , Teresa Head-Gordon , Julie Forman-Kay

Proteomics is the large-scale analysis of the proteins. The common method for identifying proteins and characterising their amino acid sequences is to digest the proteins into peptides, analyse the peptides using mass spectrometry and…

Computational Engineering, Finance, and Science · Computer Science 2019-02-05 Samaneh Azari , Bing Xue , Mengjie Zhang , Lifeng Peng

This paper presents an approach to the evaluation and validation of mass spectrometry data for construction of an `early warning' diagnostic procedure. We describe implementation of a designed experiment and place emphasis on the consistent…

Statistics Theory · Mathematics 2007-06-13 Bart J. A. Mertens , M. E. de Noo , R. A. E. M. Tollenaar , A. M. Deelder

Metabolomics complements investigation of the genome, transcriptome, and proteome of an organism. Today, the vast majority of metabolites remain unknown, in particular for non-model organisms. Mass spectrometry is one of the predominant…

Quantitative Methods · Quantitative Biology 2013-07-31 Kai Dührkop , Marcus Ludwig , Marvin Meusel , Sebastian Böcker

This review is a tutorial for scientists interested in the problem of protein structure prediction, particularly those interested in using coarse-grained molecular dynamics models that are optimized using lessons learned from the energy…

Biomolecules · Quantitative Biology 2014-01-06 N. P. Schafer , B. L. Kim , W. Zheng , P. G. Wolynes

In order to understand the nuclei which develop during the course of protein folding and unfolding, we examine phase segregation of a single heteropolymer chain which occurs in equilibrium. These segregated conformations are characterized…

Disordered Systems and Neural Networks · Physics 2009-10-31 Rose Du , Alexander Yu. Grosberg , Toyoichi Tanaka

Heteropolymer gels can be engineered to release specific molecules into or absorb molecules from a surrounding solution. This remarkable ability is the basis for developing gel applications in extensive areas such as drug delivery, waste…