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In recent years, there has been an explosion of research on the application of deep learning to the prediction of various peptide properties, due to the significant development and market potential of peptides. Molecular dynamics has…

生物大分子 · 定量生物学 2023-07-19 Zihan Liu , Jiaqi Wang , Yun Luo , Shuang Zhao , Wenbin Li , Stan Z. Li

Peptide-based drugs can bind to protein interaction sites that small molecules often cannot, and are easier to produce than large protein drugs. However, designing effective peptide binders is difficult. A typical peptide has an enormous…

生物大分子 · 定量生物学 2025-11-19 Xiaoqiong Xia , Cesar de la Fuente-Nunez

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

定量方法 · 定量生物学 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

Accurate predictions of peptide retention times (RT) in liquid chromatography have many applications in mass spectrometry-based proteomics. Herein, we present DeepRT, a deep learning based software for peptide retention time prediction.…

定量方法 · 定量生物学 2017-05-17 Chunwei Ma , Zhiyong Zhu , Jun Ye , Jiarui Yang , Jianguo Pei , Shaohang Xu , Ruo Zhou , Chang Yu , Fan Mo , Bo Wen , Siqi Liu

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

定量方法 · 定量生物学 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

Generative modeling of discrete data underlies important applications spanning text-based agents like ChatGPT to the design of the very building blocks of life in protein sequences. However, application domains need to exert control over…

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…

分子网络 · 定量生物学 2017-09-14 Somaye Hashemifar

At the intersection of the rapidly growing biological data landscape and advancements in Natural Language Processing (NLP), protein language models (PLMs) have emerged as a transformative force in modern research. These models have achieved…

生物大分子 · 定量生物学 2025-02-12 Lei Wang , Xudong Li , Han Zhang , Jinyi Wang , Dingkang Jiang , Zhidong Xue , Yan Wang

Antimicrobial peptides have emerged as promising molecules to combat antimicrobial resistance. However, fragmented datasets, inconsistent annotations, and the lack of standardized benchmarks hinder computational approaches and slow down the…

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

机器学习 · 计算机科学 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Understanding the binding specificity between T-cell receptors (TCRs) and peptide-major histocompatibility complexes (pMHCs) is central to immunotherapy and vaccine development. However, current predictive models struggle with…

定量方法 · 定量生物学 2025-12-29 Cong Qi , Hanzhang Fang , Siqi jiang , Tianxing Hu , Zhi Wei

The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…

定量方法 · 定量生物学 2020-11-30 Jingtao Wang , Xi Li , Hua Zhang

DNA-binding proteins (DBPs) are integral to gene regulation and cellular processes, making their accurate identification essential for understanding biological functions and disease mechanisms. Experimental methods for DBP identification…

机器学习 · 计算机科学 2025-07-29 Samiul Based Shuvo , Tasnia Binte Mamun , U Rajendra Acharya

Many biological questions, including the estimation of deep evolutionary histories and the detection of remote homology between protein sequences, rely upon multiple sequence alignments (MSAs) and phylogenetic trees of large datasets.…

基因组学 · 定量生物学 2015-04-07 Nam-phuong Nguyen , Siavash Mirarab , Keerthana Kumar , Tandy Warnow

The identification of bitter peptides is crucial in various domains, including food science, drug discovery, and biochemical research. These peptides not only contribute to the undesirable taste of hydrolyzed proteins but also play key…

定量方法 · 定量生物学 2025-10-30 Sarfraz Ahmad , Momina Ahsan , Muhammad Nabeel Asim , Andreas Dengel , Muhammad Imran Malik

The interaction between proteins and nucleic acids is crucial for processes that sustain cellular function, including DNA maintenance and the regulation of gene expression and translation. Amino acid mutations in protein-nucleic acid…

生物大分子 · 定量生物学 2025-12-01 Somnath Mondal , Tinkal Mondal , Soumajit Pramanik , Rukmankesh Mehra

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

机器学习 · 计算机科学 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Objective For the UK Biobank standardized phenotype codes are associated with patients who have been hospitalized but are missing for many patients who have been treated exclusively in an outpatient setting. We describe a method for…

定量方法 · 定量生物学 2022-12-13 Lu Yang , Sheng Wang , Russ B. Altman

Identifying the targets of an antimicrobial peptide is a fundamental step in studying the innate immune response and combating antibiotic resistance, and more broadly, precision medicine and public health. There have been extensive studies…

机器学习 · 计算机科学 2021-11-12 Qinze Yu , Zhihang Dong , Xingyu Fan , Licheng Zong , Yu Li

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

机器学习 · 计算机科学 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar