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For protein sequence datasets, unlabeled data has greatly outpaced labeled data due to the high cost of wet-lab characterization. Recent deep-learning approaches to protein prediction have shown that pre-training on unlabeled data can yield…

Machine Learning · Computer Science 2020-12-02 Pascal Sturmfels , Jesse Vig , Ali Madani , Nazneen Fatema Rajani

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

A protein's function depends critically on its conformational ensemble, a collection of energy weighted structures whose balance depends on temperature and environment. Though recent deep learning (DL) methods have substantially advanced…

Biomolecules · Quantitative Biology 2026-01-09 Myeongsang Lee , Lauren L. Porter

Purpose: This study aimed to enhance protein sequence classification using natural language processing (NLP) techniques while addressing the impact of sequence similarity on model performance. We compared various machine learning and deep…

Quantitative Methods · Quantitative Biology 2025-05-26 Huma Perveen , Julie Weeds

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

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

Biomolecules · Quantitative Biology 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

Protein function is inherently linked to its localization within the cell, and fluorescent microscopy data is an indispensable resource for learning representations of proteins. Despite major developments in molecular representation…

Quantitative Methods · Quantitative Biology 2022-05-25 Anastasia Razdaibiedina , Alexander Brechalov

Protein aggregation occurs when misfolded or unfolded proteins physically bind together, and can promote the development of various amyloid diseases. This study aimed to construct surrogate models for predicting protein aggregation via…

Quantitative Methods · Quantitative Biology 2023-04-10 Seungpyo Kang , Minseon Kim , Jiwon Sun , Myeonghun Lee , Kyoungmin Min

Accurate localization of proteins from fluorescence microscopy images is challenging due to the inter-class similarities and intra-class disparities introducing grave concerns in addressing multi-class classification problems. Conventional…

Computer Vision and Pattern Recognition · Computer Science 2021-10-11 Muhammad Tahir , Saeed Anwar , Ajmal Mian , Abdul Wahab Muzaffar

Advanced automated AI techniques allow us to classify protein sequences and discern their biological families and functions. Conventional approaches for classifying these protein families often focus on extracting N-Gram features from the…

Quantitative Methods · Quantitative Biology 2024-10-24 Bahar Ali , Anwar Shah , Malik Niaz , Musadaq Mansoord , Sami Ullah , Muhammad Adnan

Function plays an important role in mathematics and many science branches. As the fast development of computer technology, more and more study on computational function analysis, e.g., Fast Fourier Transform, Wavelet Transform, Curve…

Machine Learning · Computer Science 2022-09-21 Changlin Wan , Zhongzhi Shi

In this study, we tackle the challenging task of predicting secondary structures from protein primary sequences, a pivotal initial stride towards predicting tertiary structures, while yielding crucial insights into protein activity,…

Machine Learning · Computer Science 2025-11-18 Disha Varshney , Samarth Garg , Sarthak Tyagi , Deeksha Varshney , Nayan Deep , Asif Ekbal

Studying the function of proteins is important for understanding the molecular mechanisms of life. The number of publicly available protein structures has increasingly become extremely large. Still, the determination of the function of a…

Machine Learning · Computer Science 2018-03-02 Wajdi Dhifli , Abdoulaye Baniré Diallo

Deep learning models have driven significant progress in predicting protein function and interactions at the protein level. While these advancements have been invaluable for many biological applications such as enzyme engineering and…

Machine Learning · Computer Science 2025-05-20 Yang Tan , Wenrui Gou , Bozitao Zhong , Liang Hong , Huiqun Yu , Bingxin Zhou

Proteins populate a manifold in the high-dimensional sequence space whose geometrical structure guides their natural evolution. Leveraging recently-developed structure prediction tools based on transformer models, we first examine the…

Biomolecules · Quantitative Biology 2023-11-13 A. Zambon , R. Zecchina , G. Tiana

Modern Protein Language Models (PLMs) apply transformer-based model architectures from natural language processing to biological sequences, predicting a variety of protein functions and properties. However, protein language has key…

Machine Learning · Computer Science 2026-02-25 Anna Hart , Chi Han , Jeonghwan Kim , Huimin Zhao , Heng Ji

The increasing number of protein sequences decoded from genomes is opening up new avenues of research on linking protein sequence to function with transformer neural networks. Recent research has shown that the number of known protein…

Machine Learning · Computer Science 2022-06-23 Anowarul Kabir , Amarda Shehu

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

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

Recent years have witnessed a surge in the development of protein structural tokenization methods, which chunk protein 3D structures into discrete or continuous representations. Structure tokenization enables the direct application of…

Quantitative Methods · Quantitative Biology 2025-06-26 Xinyu Yuan , Zichen Wang , Marcus Collins , Huzefa Rangwala