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Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized…

生物大分子 · 定量生物学 2019-02-04 Mohammed AlQuraishi

Properties of molecules are indicative of their functions and thus are useful in many applications. With the advances of deep learning methods, computational approaches for predicting molecular properties are gaining increasing momentum.…

定量方法 · 定量生物学 2021-07-07 Zhengyang Wang , Meng Liu , Youzhi Luo , Zhao Xu , Yaochen Xie , Limei Wang , Lei Cai , Qi Qi , Zhuoning Yuan , Tianbao Yang , Shuiwang Ji

We present a neural model for representing snippets of code as continuous distributed vectors ("code embeddings"). The main idea is to represent a code snippet as a single fixed-length $\textit{code vector}$, which can be used to predict…

机器学习 · 计算机科学 2018-10-31 Uri Alon , Meital Zilberstein , Omer Levy , Eran Yahav

Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail…

机器学习 · 计算机科学 2025-02-25 Ziwei Yang , Zheng Chen , Xin Liu , Rikuto Kotoge , Peng Chen , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

Deep generative models open new avenues for simulating realistic genomic data while preserving privacy and addressing data accessibility constraints. While previous studies have primarily focused on generating gene expression or haplotype…

基因组学 · 定量生物学 2025-08-14 Sihan Xie , Thierry Tribout , Didier Boichard , Blaise Hanczar , Julien Chiquet , Eric Barrey

Understanding the dynamic nature of protein structures is essential for comprehending their biological functions. While significant progress has been made in predicting static folded structures, modeling protein motions on microsecond to…

Experimental determination of protein function is resource-consuming. As an alternative, computational prediction of protein function has received attention. In this context, protein structural classification (PSC) can help, by allowing for…

分子网络 · 定量生物学 2020-03-17 Khalique Newaz , Mahboobeh Ghalehnovi , Arash Rahnama , Panos J. Antsaklis , Tijana Milenkovic

Enzymes and proteins are live driven biochemicals, which has a dramatic impact over the environment, in which it is active. So, therefore, it is highly looked-for to build such a robust and highly accurate automatic and computational model…

生物大分子 · 定量生物学 2021-01-11 Zaheer Ullah Khan , Dechang Pi , Izhar Ahmed Khan , Asif Nawaz , Jamil Ahmad , Mushtaq Hussain

Deep learning has deeply influenced protein science, enabling breakthroughs in predicting protein properties, higher-order structures, and molecular interactions. This paper introduces DeepProtein, a comprehensive and user-friendly deep…

机器学习 · 计算机科学 2025-06-17 Jiaqing Xie , Tianfan Fu

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…

机器学习 · 计算机科学 2022-09-20 Minghao Xu , Zuobai Zhang , Jiarui Lu , Zhaocheng Zhu , Yangtian Zhang , Chang Ma , Runcheng Liu , Jian Tang

Predicting protein function from sequence is a central challenge in computational biology. While existing methods rely heavily on structured ontologies or similarity-based techniques, they often lack the flexibility to express…

计算工程、金融与科学 · 计算机科学 2025-10-27 Xiao Fei , Michail Chatzianastasis , Sarah Almeida Carneiro , Hadi Abdine , Lawrence P. Petalidis , Michalis Vazirgiannis

As high-throughput biological sequencing becomes faster and cheaper, the need to extract useful information from sequencing becomes ever more paramount, often limited by low-throughput experimental characterizations. For proteins, accurate…

定量方法 · 定量生物学 2017-01-31 Xueliang Liu

Genetic variants (GVs) are defined as differences in the DNA sequences among individuals and play a crucial role in diagnosing and treating genetic diseases. The rapid decrease in next generation sequencing cost has led to an exponential…

机器学习 · 计算机科学 2024-12-06 Zehui Li , Vallijah Subasri , Guy-Bart Stan , Yiren Zhao , Bo Wang

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

机器学习 · 计算机科学 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

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…

生物大分子 · 定量生物学 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Recent advances in de novo protein binder design have enabled increasing experimental validation, yet reported in silico metrics remain difficult to interpret or compare across studies due to non-standardized evaluation protocols. We…

定量方法 · 定量生物学 2026-05-25 Cong Liu , Milong Ren , Jiaqi Guan , Chengyue Gong , Jinyuan Sun , Xinshi Chen , Wenzhi Xiao

Proteins perform essential biological functions, and accurate classification of their sequences is critical for understanding structure-function relationships, enzyme mechanisms, and molecular interactions. This study presents a deep…

定量方法 · 定量生物学 2025-11-19 Pratik Chakraborty , Aryan Bhargava

We present a novel method that predicts transmembrane domains in proteins using solely information contained in the sequence itself. The PRED-TMR algorithm described, refines a standard hydrophobicity analysis with a detection of potential…

定量方法 · 定量生物学 2016-05-10 Claude Pasquier , Vasilis Promponas , Giorgos Palaios , Ioannis Hamodrakas , Stavros Hamodrakas

This project intends to study the image representation based on attention mechanism and multimodal data. By adding multiple pattern layers to the attribute model, the semantic and hidden layers of image content are integrated. The word…

计算与语言 · 计算机科学 2024-06-14 Dan Sun , Yaxin Liang , Yining Yang , Yuhan Ma , Qishi Zhan , Erdi Gao

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery.…