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Describing the processes involved in analyzing data from electrophysiology experiments to investigate the function of neural systems is inherently challenging. On the one hand, data can be analyzed by distinct methods that serve a similar…

Quantitative Methods · Quantitative Biology 2024-12-09 Cristiano André Köhler , Sonja Grün , Michael Denker

Recent developments in next generation sequencing technology have led to the creation of extensive, open-source protein databases consisting of hundreds of millions of sequences. To render these sequences applicable in biomedical…

Machine Learning · Computer Science 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

Most biological processes are described as a series of interactions between proteins and other molecules, and interactions are in turn described in terms of atomic structures. To annotate protein functions as sets of interaction states at…

Biomolecules · Quantitative Biology 2012-02-13 Akira R. Kinjo , Haruki Nakamura

Protein structure prediction can be shown to be an NP-hard problem; the number of conformations grows exponentially with the number of residues. The native conformations of proteins occupy a very small subset of these, hence an exploratory,…

Chemical Physics · Physics 2008-02-03 Mehul M. Khimasia , Peter V. Coveney

As machine learning becomes increasingly central to molecular design, it is vital to ensure the reliability of learnable protein-ligand scoring functions on novel protein targets. While many scoring functions perform well on standard…

Machine Learning · Computer Science 2025-12-08 Jakub Kopko , David Graber , Saltuk Mustafa Eyrilmez , Stanislav Mazurenko , David Bednar , Jiri Sedlar , Josef Sivic

Atomic packing is an important metric for characterizing protein structures, as it significantly influences various features including the stability, the rate of evolution and the functional roles of proteins. Packing in protein structures…

Biomolecules · Quantitative Biology 2025-05-27 Sotirios Touliopoulos , Nicholas M. Glykos

In the course of evolution, proteins undergo important changes in their amino acid sequences, while their three-dimensional folded structure and their biological function remain remarkably conserved. Thanks to modern sequencing techniques,…

Biomolecules · Quantitative Biology 2019-10-07 Simona Cocco , Christoph Feinauer , Matteo Figliuzzi , Remi Monasson , Martin Weigt

We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge,…

Artificial Intelligence · Computer Science 2024-12-05 Yaoyao Xu , Xinjian Zhao , Xiaozhuang Song , Benyou Wang , Tianshu Yu

The Gene Ontology (GO) provides a knowledge base to effectively describe proteins. However, measuring similarity between proteins based on GO remains a challenge. In this paper, we propose a new similarity measure, information coefficient…

Computational Engineering, Finance, and Science · Computer Science 2010-01-07 Bo Li , James Z. Wang , F. Alex Feltus , Jizhong Zhou , Feng Luo

Gene products (RNAs, proteins) often occur at low molecular counts inside individual cells, and hence are subject to considerable random fluctuations (noise) in copy number over time. Not surprisingly, cells encode diverse regulatory…

Molecular Networks · Quantitative Biology 2015-10-01 Thierry Platini , Mohammad Soltani , Abhyudai Singh

Purpose: Researchers frequently encounter the following problems when writing scientific articles: (1) Selecting appropriate citations to support the research idea is challenging. (2) The literature review is not conducted extensively,…

Information Retrieval · Computer Science 2021-05-04 Haihua Chen

Proteins encoded by genes containing regions of variable number tandem repeats (VNTRs) are known to be polymorphic within species but the influence of their instability in molecular interactions remains unclear. VNTRs are overrepresented in…

Genomics · Quantitative Biology 2012-09-28 Suzanne Bowen

The protein folding problem has attracted an increasing attention from physicists. The problem has a flavor of statistical mechanics, but possesses the most common feature of most biological problems -- the profound effects of evolution. I…

Statistical Mechanics · Physics 2009-10-31 Chao Tang

Intrinsically disordered regions (IDRs) account for one-third of the human proteome and play essential biological roles. However, predicting the functions of IDRs remains a major challenge due to their lack of stable structures, rapid…

Biomolecules · Quantitative Biology 2025-07-04 Đesika Kolarić , Chi Fung Willis Chow , Rita Zi Zhu , Agnes Toth-Petroczy , T. Reid Alderson , Iva Pritišanac

Foundation models in genomics have shown mixed success compared to their counterparts in natural language processing. Yet, the reasons for their limited effectiveness remain poorly understood. In this work, we investigate the role of…

Machine Learning · Computer Science 2026-04-07 Maxime Rochkoulets , Lovro Vrček , Mile Šikić

The large amount of information contained in bibliographic databases has recently boosted the use of citations, and other indicators based on citation numbers, as tools for the quantitative assessment of scientific research. Citations…

Physics and Society · Physics 2012-04-02 Filippo Radicchi , Claudio Castellano

Exploring the functions of genes and gene products is crucial to a wide range of fields, including medical research, evolutionary biology, and environmental science. However, discovering new functions largely relies on expensive and…

Machine Learning · Computer Science 2025-01-06 Yuwei Miao , Yuzhi Guo , Hehuan Ma , Jingquan Yan , Feng Jiang , Rui Liao , Junzhou Huang

Generalizable protein function prediction is increasingly constrained by the growing mismatch between exponentially expanding sequences of environmental proteins and the comparatively slow accumulation of experimentally verified functional…

Quantitative Methods · Quantitative Biology 2026-02-27 Ashley Babjac , Adrienne Hoarfrost

This paper investigates the stochastic fluctuations of the number of copies of a given protein in a cell. This problem has already been addressed in the past and closed-form expressions of the mean and variance have been obtained for a…

Quantitative Methods · Quantitative Biology 2012-06-05 Vincent Fromion , Emanuele Leoncini , Philippe Robert

Current supervised deep learning frameworks rely on annotated data for modeling the underlying data distribution of a given task. In particular for computer vision algorithms powered by deep learning, the quality of annotated data is the…

Computer Vision and Pattern Recognition · Computer Science 2019-12-24 Joseph Nassar , Viveca Pavon-Harr , Marc Bosch , Ian McCulloh
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