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We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the…

Machine Learning · Computer Science 2022-09-20 Minghao Xu , Zuobai Zhang , Jiarui Lu , Zhaocheng Zhu , Yangtian Zhang , Chang Ma , Runcheng Liu , Jian Tang

Identifying differentially expressed genes from RNA sequencing data remains a challenging task because of the considerable uncertainties in parameter estimation and the small sample sizes in typical applications. Here we introduce Bayesian…

Applications · Statistics 2014-11-11 Matthias Katzfuss , Andreas Neudecker , Simon Anders , Julien Gagneur

Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…

Biomolecules · Quantitative Biology 2025-01-07 Martin Vögele , Neil J. Thomson , Sang T. Truong , Jasper McAvity , Ulrich Zachariae , Ron O. Dror

In this and the associated article 'BioBlender: Fast and Efficient All Atom Morphing of Proteins Using Blender Game Engine', by Zini et al., we present BioBlender, a complete instrument for the elaboration of motion (Zini et al.) and the…

BEIR is a benchmark dataset for zero-shot evaluation of information retrieval models across 18 different domain/task combinations. In recent years, we have witnessed the growing popularity of a representation learning approach to building…

Information Retrieval · Computer Science 2023-06-14 Ehsan Kamalloo , Nandan Thakur , Carlos Lassance , Xueguang Ma , Jheng-Hong Yang , Jimmy Lin

Ease of access to data, tools and models expedites scientific research. In structural biology there are now numerous open repositories of experimental and simulated datasets. Being able to easily access and utilise these is crucial for…

Food protein digestibility and bioavailability are critical aspects in addressing human nutritional demands, particularly when seeking sustainable alternatives to animal-based proteins. In this study, we propose a machine learning approach…

Quantitative Methods · Quantitative Biology 2022-11-02 Sara Malvar , Anvita Bhagavathula , Maria Angels de Luis Balaguer , Swati Sharma , Ranveer Chandra

The performance evaluation of biometric systems is a crucial step when designing and evaluating such systems. The evaluation process uses the Equal Error Rate (EER) metric proposed by the International Organization for Standardization…

Data Structures and Algorithms · Computer Science 2012-02-28 Romain Giot , Mohamad El-Abed , Christophe Rosenberger

Identifying the relations between chemicals and proteins is an important text mining task. BioCreative VII track 1 DrugProt task aims to promote the development and evaluation of systems that can automatically detect relations between…

Computation and Language · Computer Science 2021-12-07 Mehmet Efruz Karabulut , K. Vijay-Shanker , Yifan Peng

Every day tens of thousands of sequence searches and sequence alignment queries are submitted to webservers. The capitalized word "BLAST" become a verb, describing the act of performing sequence search and alignment. However, if one needs…

Genomics · Quantitative Biology 2013-12-18 Dániel Bánky , Balázs Szalkai , Vince Grolmusz

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Accurate information about protein content in the organism is instrumental for a better understanding of human biology and disease mechanisms. While the presence of certain types of proteins can be life-threatening, the abundance of others…

Quantitative Methods · Quantitative Biology 2022-01-19 Dmytro Fishman

Understanding protein function at the molecular level requires connecting residue-level annotations with physical and structural properties. This can be cumbersome and error-prone when functional annotation, computation of physico-chemical…

Biomolecules · Quantitative Biology 2025-06-26 Jordan C. Rozum , Hunter Ufford , Alexandria K. Im , Tong Zhang , David D. Pollock , Doo Nam Kim , Song Feng

Determining the physicochemical properties of a protein can reveal important insights in their structure, biological functions, stability, and interactions with other molecules. Although tools for computing properties of proteins already…

Biomolecules · Quantitative Biology 2023-12-05 Gustavo Sganzerla Martinez , Mansi Dutt , Anuj Kumar , David J Kelvin

In this and the associated article 'BioBlender: A Software for Intuitive Representation of Surface Properties of Biomolecules', (Andrei et al) we present BioBlender as a complete instrument for the elaboration of motion (here) and the…

Biomolecules · Quantitative Biology 2010-09-27 Maria Francesca Zini , Yuri Porozov , Raluca Mihaela Andrei , Tiziana Loni , Claudia Caudai , Monica Zoppè

Protein activity is a significant characteristic for recombinant proteins which can be used as biocatalysts. High activity of proteins reduces the cost of biocatalysts. A model that can predict protein activity from amino acid sequence is…

Quantitative Methods · Quantitative Biology 2018-07-23 X. Han , X. Wang , K. Zhou

Decoding protein-protein interactions (PPIs) at the residue level is crucial for understanding cellular mechanisms and developing targeted therapeutics. We present Seq2Bind Webserver, a computational framework that leverages fine-tuned…

Quantitative Methods · Quantitative Biology 2025-06-18 Xiang Ma , Supantha Dey , Vaishnavey SR , Casey Zelinski , Qi Li , Ratul Chowdhury

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based…

Recent advances in computational methods for designing biological sequences have sparked the development of metrics to evaluate these methods performance in terms of the fidelity of the designed sequences to a target distribution and their…

A new software package, the Fission Induced Electromagnetic Response (FIER) code, has been developed to analytically predict delayed $\gamma$-ray spectra following fission. FIER uses evaluated nuclear data and solutions to the Bateman…

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