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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

Most biological processes are described as a series of interactions between proteins and other molecules, and interactions are in turn described in terms of atomic structures. To annotate protein functions as sets of interaction states at…

Biomolecules · Quantitative Biology 2012-02-13 Akira R. Kinjo , Haruki Nakamura

Short peptides with antimicrobial activity have therapeutic potential for treating bacterial infections. Mechanisms of actions for antimicrobial peptides require binding the biological membrane of their target, which often represents a key…

Biomolecules · Quantitative Biology 2021-11-05 Jacob M. Remington , Jonathon B. Ferrell , Jianing Li

Generative deep learning techniques have demonstrated an impressive capacity for tackling biomolecular design problems in recent years. Despite their high performance, however, they still suffer from a lack of interpretability and rigorous…

Machine Learning · Computer Science 2026-04-06 Jyler Menard , R. A. Mansbach

Identification of antimicrobial peptides is an important and necessary issue in today's era. Antimicrobial peptides are essential as an alternative to antibiotics for biomedical applications and many other practical applications. These…

Machine Learning · Computer Science 2025-12-17 Reyhaneh Keshavarzpour , Eghbal Mansoori

Antimicrobial peptides (AMPs) are anti-infectives that have potential as a novel and untapped class of biotherapeutics. Modes of action of antimicrobial peptides imply interaction with cell envelope. Comprehensive understanding of…

Biomolecules · Quantitative Biology 2020-05-11 Malak Pirtskhalava , Boris Vishnepolsky , Maya Grigolava

Recently, Antimicrobial peptides (AMPs) have been an area of interest in the researches, as the first line of defense against the bacteria. They are raising attention as an efficient way of fighting multidrug resistance. Discovering and…

Quantitative Methods · Quantitative Biology 2020-05-06 Neda Zarayeneh , Zahra Hanifeloo

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

1. In Bayesian Network Regression models, networks are considered the predictors of continuous responses. These models have been successfully used in brain research to identify regions in the brain that are associated with specific human…

Applications · Statistics 2024-01-23 Samuel Ozminkowski , Claudia Solis-Lemus

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…

Amphipathic peptides are considered promising antibiotics because of their ability to form pores in bacterial membranes. In two companion papers, we analyzed both experimentally and theoretically the mechanisms and consequences of the…

Link prediction plays an important role in network analysis and applications. Recently, approaches for link prediction have evolved from traditional similarity-based algorithms into embedding-based algorithms. However, most existing…

Social and Information Networks · Computer Science 2020-08-11 Lei Wang , Jing Ren , Bo Xu , Jianxin Li , Wei Luo , Feng Xia

Antimicrobial peptides (AMPs) have intrigued researchers for decades due to the contradiction between their high potential against resistant bacteria and the inability to find a structure-function relationship for the development of an…

Soft Condensed Matter · Physics 2025-02-14 Marta V. Volovik , Zaret G. Denieva , Oleg V. Kondrashov , Sergey A. Akimov , Oleg V. Batishchev

Antimicrobial peptides are a class of small, usually positively charged amphiphilic peptides that are used by the innate immune system to combat bacterial infection in multicellular eukaryotes. Antimicrobial peptides are known for their…

Biomolecules · Quantitative Biology 2015-06-12 Natalia P. Rodina , Anna N. Yudenko , Ivan N. Terterov , Igor E. Eliseev

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

In this paper, we consider the statistical analysis of a protein interaction network. We propose a Bayesian model that uses a hierarchy of probabilistic assumptions about the way proteins interact with one another in order to: (i) identify…

Molecular Networks · Quantitative Biology 2007-11-15 Edoardo M Airoldi , David M Blei , Stephen E Fienberg , Eric P Xing

One of the major research questions regarding human microbiome studies is the feasibility of designing interventions that modulate the composition of the microbiome to promote health and cure disease. This requires extensive understanding…

Methodology · Statistics 2021-11-18 Matthew D. Koslovsky , Kristi L. Hoffman , Carrie R. Daniel , Marina Vannucci

There are numerous peptides discovered through past decades, which exhibit antimicrobial and anti-cancerous tendencies. Due to these reasons, peptides are supposed to be sound therapeutic candidates. Some peptides can pose low metabolic…

Machine Learning · Computer Science 2020-12-14 Ali Raza , Hafiz Saud Arshad

Antibiotics are a vital class of drugs closely associated with the prevention and treatment of bacterial infections. Accurate prediction of molecular antimicrobial activity remains a key challenge in the pursuit of novel antibiotic…

Quantitative Methods · Quantitative Biology 2025-09-23 R. He

Understanding peptide properties is often assumed to require modeling long-range molecular interactions, motivating the use of complex graph neural networks and pretrained transformers. Yet, whether such long-range dependencies are…

Biomolecules · Quantitative Biology 2026-03-11 Jakub Adamczyk , Piotr Ludynia , Wojciech Czech
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