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Motivation Protein fold recognition is an important problem in structural bioinformatics. Almost all traditional fold recognition methods use sequence (homology) comparison to indirectly predict the fold of a tar get protein based on the…

Machine Learning · Computer Science 2017-06-06 Jie Hou , Badri Adhikari , Jianlin Cheng

Amino acid sequence portrays most intrinsic form of a protein and expresses primary structure of protein. The order of amino acids in a sequence enables a protein to acquire a particular stable conformation that is responsible for the…

Machine Learning · Computer Science 2022-08-29 Ashish Ranjan , Md Shah Fahad , David Fernandez-Baca , Akshay Deepak , Sudhakar Tripathi

The knowledge regarding the function of proteins is necessary as it gives a clear picture of biological processes. Nevertheless, there are many protein sequences found and added to the databases but lacks functional annotation. The…

Quantitative Methods · Quantitative Biology 2018-09-13 Anu Vazhayil , Vinayakumar R , Soman KP

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Biomolecules · Quantitative Biology 2024-02-09 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

The study of biological processes can greatly benefit from tools that automatically predict gene functions or directly cluster genes based on shared functionality. Existing data mining methods predict protein functionality by exploiting…

Machine Learning · Computer Science 2020-11-20 Kaiyu Shen , Razvan Bunescu , Sarah E. Wyatt

In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomolecule structures extrapolated from the Protein Data Bank…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

Gene Ontology (GO) terms are frequently used to score alignments between protein-protein interaction (PPI) networks. Methods exist to measure the GO similarity between two proteins in isolation, but pairs of proteins in a network alignment…

Molecular Networks · Quantitative Biology 2017-04-06 Wayne B. Hayes , Nil Mamano

Biological systems can be studied at multiple levels of information, including gene, protein, RNA and different interaction networks levels. The goal of this work is to explore how the fusion of systems' level information with temporal…

Genomics · Quantitative Biology 2023-02-09 Jan Kralj , Blaž Škrlj , Živa Ramšak , Nada Lavrač , Kristina Gruden

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Systematic identification of protein function is a key problem in current biology. Most traditional methods fail to identify functionally equivalent proteins if they lack similar sequences, structural data or extensive manual annotations.…

Genomics · Quantitative Biology 2016-03-08 Dan Ofer

The increasing availability of high throughput data arising from gene expression studies leads to the necessity of methods for summarizing the available information. As annotation quality improves it is becoming common to rely on the Gene…

Genomics · Quantitative Biology 2007-05-23 Alex Sanchez-Pla , Miquel Salicru , Jordi Ocanya

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

Identifying novel functional protein structures is at the heart of molecular engineering and molecular biology, requiring an often computationally exhaustive search. We introduce the use of a Deep Convolutional Generative Adversarial…

Biomolecules · Quantitative Biology 2021-04-20 Ethan Moyer , Jeff Winchell , Isamu Isozaki , Yigit Alparslan , Mali Halac , Edward Kim

Protein structures are important for understanding their functions and interactions. Currently, many protein structure prediction methods are enriching the structure database. Discriminating the origin of structures is crucial for…

Biomolecules · Quantitative Biology 2024-10-24 Wenrui Gou , Wenhui Ge , Yang Tan , Mingchen Li , Guisheng Fan , Huiqun Yu

In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…

Machine Learning · Computer Science 2019-01-21 Chhote Lal Prasad Gupta , Anand Bihari , Sudhakar Tripathi

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

Protein engineering seeks to identify protein sequences with optimized properties. When guided by machine learning, protein sequence generation methods can draw on prior knowledge and experimental efforts to improve this process. In this…

Quantitative Methods · Quantitative Biology 2021-05-28 Zachary Wu , Kadina E. Johnston , Frances H. Arnold , Kevin K. Yang

Recent computational advances in the accurate prediction of protein three-dimensional (3D) structures from amino acid sequences now present a unique opportunity to decipher the interrelationships between proteins. This task entails--but is…

Biomolecules · Quantitative Biology 2020-05-19 Menuka Jaiswal , Saad Saleem , Yonghyeon Kweon , Eli J Draizen , Stella Veretnik , Cameron Mura , Philip E. Bourne