English
Related papers

Related papers: bio2Byte Tools deployment as a Python package and …

200 papers

We describe how Python can be leveraged to streamline the curation, modelling and dissemination of drug discovery data as well as the development of innovative, freely available tools for the related scientific community. We look at various…

Other Computer Science · Computer Science 2016-07-05 Michał Nowotka , George Papadatos , Mark Davies , Nathan Dedman , Anne Hersey

Background: The increasing volume and variety of genotypic and phenotypic data is a major defining characteristic of modern biomedical sciences. At the same time, the limitations in technology for generating data and the inherently…

Quantitative Methods · Quantitative Biology 2016-12-07 Yuxiang Jiang , Tal Ronnen Oron , Wyatt T Clark , Asma R Bankapur , Daniel D'Andrea , Rosalba Lepore , Christopher S Funk , Indika Kahanda , Karin M Verspoor , Asa Ben-Hur , Emily Koo , Duncan Penfold-Brown , Dennis Shasha , Noah Youngs , Richard Bonneau , Alexandra Lin , Sayed ME Sahraeian , Pier Luigi Martelli , Giuseppe Profiti , Rita Casadio , Renzhi Cao , Zhaolong Zhong , Jianlin Cheng , Adrian Altenhoff , Nives Skunca , Christophe Dessimoz , Tunca Dogan , Kai Hakala , Suwisa Kaewphan , Farrokh Mehryary , Tapio Salakoski , Filip Ginter , Hai Fang , Ben Smithers , Matt Oates , Julian Gough , Petri Törönen , Patrik Koskinen , Liisa Holm , Ching-Tai Chen , Wen-Lian Hsu , Kevin Bryson , Domenico Cozzetto , Federico Minneci , David T Jones , Samuel Chapman , Dukka B K. C. , Ishita K Khan , Daisuke Kihara , Dan Ofer , Nadav Rappoport , Amos Stern , Elena Cibrian-Uhalte , Paul Denny , Rebecca E Foulger , Reija Hieta , Duncan Legge , Ruth C Lovering , Michele Magrane , Anna N Melidoni , Prudence Mutowo-Meullenet , Klemens Pichler , Aleksandra Shypitsyna , Biao Li , Pooya Zakeri , Sarah ElShal , Léon-Charles Tranchevent , Sayoni Das , Natalie L Dawson , David Lee , Jonathan G Lees , Ian Sillitoe , Prajwal Bhat , Tamás Nepusz , Alfonso E Romero , Rajkumar Sasidharan , Haixuan Yang , Alberto Paccanaro , Jesse Gillis , Adriana E Sedeño-Cortés , Paul Pavlidis , Shou Feng , Juan M Cejuela , Tatyana Goldberg , Tobias Hamp , Lothar Richter , Asaf Salamov , Toni Gabaldon , Marina Marcet-Houben , Fran Supek , Qingtian Gong , Wei Ning , Yuanpeng Zhou , Weidong Tian , Marco Falda , Paolo Fontana , Enrico Lavezzo , Stefano Toppo , Carlo Ferrari , Manuel Giollo , Damiano Piovesan , Silvio Tosatto , Angela del Pozo , José M Fernández , Paolo Maietta , Alfonso Valencia , Michael L Tress , Alfredo Benso , Stefano Di Carlo , Gianfranco Politano , Alessandro Savino , Hafeez Ur Rehman , Matteo Re , Marco Mesiti , Giorgio Valentini , Joachim W Bargsten , Aalt DJ van Dijk , Branislava Gemovic , Sanja Glisic , Vladmir Perovic , Veljko Veljkovic , Nevena Veljkovic , Danillo C Almeida-e-Silva , Ricardo ZN Vencio , Malvika Sharan , Jörg Vogel , Lakesh Kansakar , Shanshan Zhang , Slobodan Vucetic , Zheng Wang , Michael JE Sternberg , Mark N Wass , Rachael P Huntley , Maria J Martin , Claire O'Donovan , Peter N Robinson , Yves Moreau , Anna Tramontano , Patricia C Babbitt , Steven E Brenner , Michal Linial , Christine A Orengo , Burkhard Rost , Casey S Greene , Sean D Mooney , Iddo Friedberg , Predrag Radivojac

In this vignette, we introduce the UPG package for efficient Bayesian inference in probit, logit, multinomial logit and binomial logit models. UPG offers a convenient estimation framework for balanced and imbalanced data settings where…

Computation · Statistics 2023-07-03 Gregor Zens , Sylvia Frühwirth-Schnatter , Helga Wagner

Proteins play crucial roles in every cellular process by interacting with each other, with nucleic acids, metabolites, and other molecules. The resulting assemblies can be very large and intricate and pose challenges to experimental…

Biomolecules · Quantitative Biology 2021-03-16 Charlotte W. van Noort , Rodrigo V. Honorato , Alexandre M. J. J. Bonvin

Bioinformatics platforms have significantly changed clinical diagnostics by facilitating the analysis of genomic data, thereby advancing personalized medicine and improving patient care. This study examines the integration, usage patterns,…

Human-Computer Interaction · Computer Science 2024-09-27 Hadi Almohab , Ramzy Al-Othmany

Protein subcellular localization is an important factor in normal cellular processes and disease. While many protein localization resources treat it as static, protein localization is dynamic and heavily influenced by biological context.…

Molecular Networks · Quantitative Biology 2022-12-13 Chris S. Magnano , Anthony Gitter

Predictive systems, in particular machine learning algorithms, can take important, and sometimes legally binding, decisions about our everyday life. In most cases, however, these systems and decisions are neither regulated nor certified.…

Machine Learning · Computer Science 2022-09-09 Kacper Sokol , Alexander Hepburn , Rafael Poyiadzi , Matthew Clifford , Raul Santos-Rodriguez , Peter Flach

We present analysis of a novel tool for protein secondary structure prediction using the recently-investigated Neural Machine Translation framework. The tool provides a fast and accurate folding prediction based on primary structure with…

Quantitative Methods · Quantitative Biology 2021-05-11 Evan Weissburg , Ian Bulovic

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

Motivation: Proteomic mass spectrometry analysis is becoming routine in clinical diagnostics, for example to monitor cancer biomarkers using blood samples. However, differential proteomics and identification of peaks relevant for class…

Genomics · Quantitative Biology 2015-10-06 Sebastian Gibb , Korbinian Strimmer

Drug discovery represents a time-consuming and financially intensive process, and virtual screening can accelerate it. Scoring functions, as one of the tools guiding virtual screening, have their precision closely tied to screening…

Machine Learning · Computer Science 2026-01-13 Haotian Gao , Xiangying Zhang , Jingyuan Li , Xinchong Chen , Haojie Wang , Yifei Qi , Renxiao Wang

In this paper we describe RooFitUnfold, an extension of the RooFit statistical software package to treat unfolding problems, and which includes most of the unfolding methods that commonly used in particle physics. The package provides a…

Data Analysis, Statistics and Probability · Physics 2020-05-14 Lydia Brenner , Pim Verschuuren , Rahul Balasubramanian , Carsten Burgard , Vincent Croft , Glen Cowan , Wouter Verkerke

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

Studying facial expressions is a notoriously difficult endeavor. Recent advances in the field of affective computing have yielded impressive progress in automatically detecting facial expressions from pictures and videos. However, much of…

Computer Vision and Pattern Recognition · Computer Science 2023-03-09 Jin Hyun Cheong , Eshin Jolly , Tiankang Xie , Sophie Byrne , Matthew Kenney , Luke J. Chang

The genome-scale metabolic model with protein constraint (PC-model) has been increasingly popular for microbial metabolic simulations. We present PROSO Toolbox, a unified and simple-to-use PC-model toolbox that takes any high-quality…

Molecular Networks · Quantitative Biology 2023-08-30 Haoyang Yao , Laurence Yang

Python is a particularly appealing language to carry out data analysis, owing in part to its user-friendly character as well as its access to well maintained and powerful libraries like NumPy and SciPy. Still, for the purpose of analyzing…

High Energy Physics - Lattice · Physics 2024-02-01 Luis Altenkort , David Anthony Clarke , Jishnu Goswami , Hauke Sandmeyer

Biophysics is a subject that is spread over many disciplines and transcends the skills and knowledge of the individual student. This makes it challenging both to teach and to learn. Educational materials are described to aid in teaching…

Physics Education · Physics 2015-06-15 J. M. Deutsch

Understanding the temporal properties of longitudinal data is critical for identifying trends, predicting future events, and making informed decisions in any field where temporal data is analysed, including health and epidemiology, finance,…

The AlphaFold series has transformed protein structure prediction with remarkable accuracy, often matching experimental methods. AlphaFold2, AlphaFold-Multimer, and the latest AlphaFold3 represent significant strides in predicting single…

1. Natural sounds have been recorded for millions of hours over the previous decades using passive acoustic monitoring. Improvements in deep learning models have vastly accelerated the analysis of large portions of this data. While new…

Machine Learning · Computer Science 2026-04-14 Vincent S. Kather , Sylvain Haupert , Burooj Ghani , Dan Stowell