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Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

Machine Learning · Computer Science 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang

Disordered proteins play essential roles in myriad cellular processes, yet their structural characterization remains a major challenge due to their dynamic and heterogeneous nature. We here present a community-driven initiative to address…

Inspired by biology's most sophisticated computer, the brain, neural networks constitute a profound reformulation of computational principles. Remarkably, analogous high-dimensional, highly-interconnected computational architectures also…

Disordered Systems and Neural Networks · Physics 2024-01-23 Constantine Glen Evans , Jackson O'Brien , Erik Winfree , Arvind Murugan

We formulate a novel technique for the detection of functional clusters in discrete event data. The advantage of this algorithm is that no prior knowledge of the number of functional groups is needed, as our procedure progressively combines…

Neurons and Cognition · Quantitative Biology 2015-05-13 S. Feldt , J. Waddell , V. L. Hetrick , J. D. Berke , M. Zochowski

The network paradigm is increasingly used to describe the topology and dynamics of complex systems. Here we review the results of the topological analysis of protein structures as molecular networks describing their small-world character,…

Biomolecules · Quantitative Biology 2007-06-10 Csaba Bode , Istvan A. Kovacs , Mate S. Szalay , Robin Palotai , Tamas Korcsmaros , Peter Csermely

Cellular manufacturing (CM) is an approach that includes both flexibility of job shops and high production rate of flow lines. Although CM provides many benefits in reducing throughput times, setup times, work-in-process inventories but the…

Adaptation and Self-Organizing Systems · Physics 2012-01-27 Manojit Chattopadhyay , Pranab K. Dan , Sitanath Majumdar

A steadily growing computational power is employed to perform molecular dynamics simulations of biological macromolecules, which represents at the same time an immense opportunity and a formidable challenge. In fact, large amounts of data…

Soft Condensed Matter · Physics 2022-05-18 Margherita Mele , Roberto Covino , Raffaello Potestio

It is becoming clear that traditional, single-structure models of proteins are insufficient for understanding their biological function. Here, we outline one method for inferring, from experiments, not only the most common structure a…

Biological Physics · Physics 2014-08-04 Thomas J. Lane , Christian R. Schwantes , Kyle A. Beauchamp , Vijay S. Pande

Interconnected ensembles of biological entities are perhaps some of the most complex systems that modern science has encountered so far. In particular, scientists have concentrated on understanding how the complexity of the interacting…

Pattern Formation and Solitons · Physics 2020-11-18 Bram A. Siebert , Cameron L. Hall , James P. Gleeson , Malbor Asllani

Protein-protein interaction (PPI) networks, providing a comprehensive landscape of protein interacting patterns, enable us to explore biological processes and cellular components at multiple resolutions. For a biological process, a number…

Molecular Networks · Quantitative Biology 2016-04-13 Xiuli Ma , Guangyu Zhou , Jingjing Wang , Jian Peng , Jiawei Han

Machine-part cell formation is used in cellular manufacturing in order to process a large variety, quality, lower work in process levels, reducing manufacturing lead-time and customer response time while retaining flexibility for new…

Artificial Intelligence · Computer Science 2011-05-09 Manojit Chattopadhyay , Surajit Chattopadhyay , Pranab K. Dan

Cluster-based descriptions of biological networks have received much attention in recent years fostered by accumulated evidence of the existence of meaningful correlations between topological network clusters and biological functional…

Molecular Networks · Quantitative Biology 2015-08-19 Ariel Berenstein , Janet Piñero , Laura Ines Furlong , Ariel Chernomoretz

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

Interpreting the prediction mechanism of complex models is currently one of the most important tasks in the machine learning field, especially with layered neural networks, which have achieved high predictive performance with various…

Machine Learning · Statistics 2018-10-04 Chihiro Watanabe

The present paper attempts to generate visual clustering and data extraction of cell formation problem using both principal component analysis (PCA) and self organizing map (SOM) from input of sequence based machine-part incidence matrix.…

Adaptation and Self-Organizing Systems · Physics 2012-03-21 Manojit Chattopadhyay , Pranab K. Dan , Sitanath Majumdar

In living cells, proteins self-assemble into large functional structures based on specific interactions between molecularly complex patches. Due to this complexity, protein self-assembly results from a competition between a large number of…

Soft Condensed Matter · Physics 2024-12-10 Lara Koehler , Pierre Ronceray , Martin Lenz

Cellular function is widely believed to be organized in a modular fashion. On all scales and at all levels of complexity, relatively independent sub-units perform relatively independent sub-tasks of biological function. This functional…

Molecular Networks · Quantitative Biology 2010-12-22 Stefan Pinkert , Joerg Schultz , Joerg Reichardt

Modular structure is ubiquitous among real-world networks from related proteins to social groups. Here we analyze the modular organization of brain networks at a large-scale (voxel level) extracted from functional magnetic resonance imaging…

Data Analysis, Statistics and Probability · Physics 2009-04-16 M. Valencia , M. A. Pastor , MA. Fernandez-Seara , J. Artieda , J. Martinerie , M. Chavez

The proper biological functioning of proteins often relies on the occurrence of coordinated fluctuations around their native structure, or of wider and sometimes highly elaborated motions. Coarse-grained elastic-network descriptions are…

Biomolecules · Quantitative Biology 2013-10-17 Yves Dehouck , Alexander S. Mikhailov

The current understanding of deep neural networks can only partially explain how input structure, network parameters and optimization algorithms jointly contribute to achieve the strong generalization power that is typically observed in…

Machine Learning · Computer Science 2021-01-28 Francesco Craighero , Fabrizio Angaroni , Alex Graudenzi , Fabio Stella , Marco Antoniotti
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