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Related papers: Peptipedia: a comprehensive database for peptide r…

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Peptides are ubiquitous and important biologically derived molecules, that have been found to self-assemble to form a wide array of structures. Extensive research has explored the impacts of both internal chemical composition and external…

Soft Condensed Matter · Physics 2024-11-11 Zhenze Yang , Sarah K. Yorke , Tuomas P. J. Knowles , Markus J. Buehler

Peptides offer great biomedical potential and serve as promising drug candidates. Currently, the majority of approved peptide drugs are directly derived from well-explored natural human peptides. It is quite necessary to utilize advanced…

Biomolecules · Quantitative Biology 2024-01-29 Yipin Lei , Xu Wang , Meng Fang , Han Li , Xiang Li , Jianyang Zeng

Peptide therapeutics are widely regarded as the "third generation" of drugs, yet progress in peptide Machine Learning (ML) are hindered by the absence of standardized benchmarks. Here we present PepBenchmark, which unifies datasets,…

Machine Learning · Computer Science 2026-04-14 Jiahui Zhang , Rouyi Wang , Kuangqi Zhou , Tianshu Xiao , Lingyan Zhu , Yaosen Min , Yang Wang

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…

Biomolecules · Quantitative Biology 2025-11-19 Xiaoqiong Xia , Cesar de la Fuente-Nunez

Many tools exist for extracting structural and physiochemical descriptors from linear peptides to predict their properties, but similar tools for hydrocarbon-stapled peptides are lacking.Here, we present StaPep, a Python-based toolkit…

Biomolecules · Quantitative Biology 2024-02-29 Zhe Wang , Jianping Wu , Mengjun Zheng , Chenchen Geng , Borui Zhen , Wei Zhang , Hui Wu , Zhengyang Xu , Gang Xu , Si Chen , Xiang Li

Peptides play a pivotal role in a wide range of biological activities through participating in up to 40% protein-protein interactions in cellular processes. They also demonstrate remarkable specificity and efficacy, making them promising…

Biomolecules · Quantitative Biology 2024-02-09 Song Yin , Xuenan Mi , Diwakar Shukla

Often the development of novel functional peptides is not amenable to high throughput or purely computational screening methods. Peptides must be synthesized one at a time in a process that does not generate large amounts of data. One way…

Biomolecules · Quantitative Biology 2020-12-14 Rainier Barrett , Andrew D. White

Peptides play a crucial role in the drug design and discovery whether as a therapeutic modality or a delivery agent. Non-natural amino acids (NNAAs) have been used to enhance the peptide properties from binding affinity, plasma stability to…

Peptides, short chains of amino acid residues, play a vital role in numerous biological processes by interacting with other target molecules, offering substantial potential in drug discovery. In this work, we present PepFlow, the first…

Biomolecules · Quantitative Biology 2024-06-04 Jiahan Li , Chaoran Cheng , Zuofan Wu , Ruihan Guo , Shitong Luo , Zhizhou Ren , Jian Peng , Jianzhu Ma

By coupling peptides with DNA tags (i.e., 'barcodes'), it is now possible to harness high-throughput sequencing (HTS) technologies to enable highly multiplexed peptide-based assays, which have a variety of potential applications including…

Quantitative Methods · Quantitative Biology 2020-07-13 Zane W. Fink , Vidal Martinez , John Altin , Jason T. Ladner

PepSIRF is a command-line, module-based open-source software package that facilitates the analysis of data from highly-multiplexed serology assays (e.g., PepSeq or PhIP-Seq). It has nine separate modules in its current release (v1.5.0):…

Quantitative Methods · Quantitative Biology 2022-07-26 Annabelle M. Brown , Evan Bolyen , Isaiah Raspet , John A. Altin , Jason T. Ladner

Recent advances in protein language models have catalyzed significant progress in peptide sequence representation. Despite extensive exploration in this field, pre-trained models tailored for peptide-specific needs remain largely…

Machine Learning · Computer Science 2024-01-23 Ruochi Zhang , Haoran Wu , Chang Liu , Huaping Li , Yuqian Wu , Kewei Li , Yifan Wang , Yifan Deng , Jiahui Chen , Fengfeng Zhou , Xin Gao

Knowledge graphs are an increasingly common data structure for representing biomedical information. These knowledge graphs can easily represent heterogeneous types of information, and many algorithms and tools exist for querying and…

Accurate identification of bioactive peptides (BPs) and protein post-translational modifications (PTMs) is essential for understanding protein function and advancing therapeutic discovery. However, most computational methods remain limited…

Machine Learning · Computer Science 2025-12-05 Jixiu Zhai , Zikun Wang , Chupei Tang , Haitian Zhong , Ziyang Xu , Yuhuan Liu , Shengrui Xu , Jingwan Wang , Dan Huang , Tianchi Lu

In recent years, the scientific community has become increasingly interested on peptides with non-canonical amino acids due to their superior stability and resistance to proteolytic degradation. These peptides present promising…

Biomolecules · Quantitative Biology 2023-11-09 Ruochi Zhang , Haoran Wu , Yuting Xiu , Kewei Li , Ningning Chen , Yu Wang , Yan Wang , Xin Gao , Fengfeng Zhou

Summary: In anticipation of the individualized proteomics era and the need to integrate knowledge from disease studies, we have augmented our peptide identification software RAId DbS to take into account annotated single amino acid…

Quantitative Methods · Quantitative Biology 2008-03-18 Gelio Alves , Aleksey Ogurtsov , Yi-Kuo Yu

Peptides are recognized for their varied self-assembly behaviors, forming a wide array of structures and geometries, such as spheres, fibers, and hydrogels, each presenting a unique set of material properties. The functionalities of these…

Biomolecules · Quantitative Biology 2025-05-15 Sarah K. Yorke , Zhenze Yang , Aviad Levin , Alice Ray , Jeremy Owusu Boamah , Tuomas P. J. Knowles , Markus J. Buehler

Peptide self-assembly prediction offers a powerful bottom-up strategy for designing biocompatible, low-toxicity materials for large-scale synthesis in a broad range of biomedical and energy applications. However, screening the vast sequence…

Biomolecules · Quantitative Biology 2026-04-23 Nuno Costa , Julija Zavadlav

Peptides are biomolecules comprised of amino acids that play an important role in our body. In recent years, peptides have received extensive attention in drug design and synthesis, and peptide prediction tasks help us better search for…

Machine Learning · Computer Science 2024-11-26 Zengzhu Guo , Zhiqi Ma

Peppytides is a coarse-grained, accurate, physical model of the polypeptide chain. I have shared instructions to make your own polypeptide chain and STL files of Peppytides in MAKE magazine in Jan 2014 issue. However, Peppytides involves a…

Other Quantitative Biology · Quantitative Biology 2016-05-16 Promita Chakraborty
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