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De novo therapeutic design is challenged by a vast chemical repertoire and multiple constraints, e.g., high broad-spectrum potency and low toxicity. We propose CLaSS (Controlled Latent attribute Space Sampling) - an efficient computational…

As antibiotic-resistant bacterial strains are rapidly spreading worldwide, infections caused by these strains are emerging as a global crisis causing the death of millions of people every year. Antimicrobial Peptides (AMPs) are one of the…

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…

机器学习 · 计算机科学 2025-12-17 Reyhaneh Keshavarzpour , Eghbal Mansoori

Antimicrobial peptides (AMPs) emerge as promising agents against antimicrobial resistance, providing an alternative to conventional antibiotics. Artificial intelligence (AI) revolutionized AMP discovery through both discrimination and…

生物大分子 · 定量生物学 2023-08-23 Paulina Szymczak , Ewa Szczurek

Deep learning holds a big promise for optimizing existing peptides with more desirable properties, a critical step towards accelerating new drug discovery. Despite the recent emergence of several optimized Antimicrobial peptides(AMP)…

定量方法 · 定量生物学 2024-06-06 Li Wang , Xiangzheng Fu , Jiahao Yang , Xinyi Zhang , Xiucai Ye , Yiping Liu , Tetsuya Sakurai , Xiangxiang Zeng

To address the global health threat of antimicrobial resistance, antimicrobial peptides (AMP) are being explored for their potent and promising ability to fight resistant pathogens. While artificial intelligence (AI) is being employed to…

人工智能 · 计算机科学 2026-02-17 Gen Zhou , Sugitha Janarthanan , Lianghong Chen , Pingzhao Hu

Antimicrobial peptides (AMPs) are promising therapeutic approaches against drug-resistant pathogens. Recently, deep generative models are used to discover new AMPs. However, previous studies mainly focus on peptide sequence attributes and…

生物大分子 · 定量生物学 2023-08-22 Danqing Wang , Zeyu Wen , Fei Ye , Lei Li , Hao Zhou

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

Antimicrobial peptides (AMPs) have exhibited unprecedented potential as biomaterials in combating multidrug-resistant bacteria. Despite the increasing adoption of artificial intelligence for novel AMP design, challenges pertaining to…

定量方法 · 定量生物学 2024-05-03 Li Wang , Yiping Li , Xiangzheng Fu , Xiucai Ye , Junfeng Shi , Gary G. Yen , Xiangxiang Zeng

Given the emerging global threat of antimicrobial resistance, new methods for next-generation antimicrobial design are urgently needed. We report a peptide generation framework PepCVAE, based on a semi-supervised variational autoencoder…

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…

生物大分子 · 定量生物学 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…

定量方法 · 定量生物学 2020-05-06 Neda Zarayeneh , Zahra Hanifeloo

Antimicrobial resistance threatens healthcare sustainability and motivates low-cost computational discovery of antimicrobial peptides (AMPs). De novo peptide generation must optimize antimicrobial activity and safety through low predicted…

定量方法 · 定量生物学 2026-02-05 Fang Sheng , Mohammad Noaeen , Zahra Shakeri

Large language models (LLMs) have shown remarkable advancements in chemistry and biomedical research, acting as versatile foundation models for various tasks. We introduce AMP-Designer, an LLM-based approach for swiftly designing novel…

The evolution of drug-resistant microbial species is one of the major challenges to global health. The development of new antimicrobial treatments such as antimicrobial peptides needs to be accelerated to combat this threat. However, the…

生物大分子 · 定量生物学 2019-11-15 Sadaf Gull , Fayyaz Minhas

Classifying Antimicrobial Peptides (AMPs) from the vast collection of peptides derived from metagenomic sequencing offers a promising avenue for combating antibiotic resistance. However, most existing AMP classification methods rely…

定量方法 · 定量生物学 2026-01-15 Yingxu Wang , Victor Liang , Nan Yin , Siwei Liu , Eran Segal

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…

软凝聚态物质 · 物理学 2025-02-14 Marta V. Volovik , Zaret G. Denieva , Oleg V. Kondrashov , Sergey A. Akimov , Oleg V. Batishchev

Development of the new antimicrobial agents against antibiotic resistance pathogens is the nowadays challenge. Antimicrobial peptides (AMP) occur as important defence agents in many organisms and offer a viable alternative to conventional…

生物大分子 · 定量生物学 2013-07-24 M. Pirtskhalava , B. Vishnepolsky , M. Grigolava

Most available antimicrobial peptides (AMP) prediction methods use common approach for different classes of AMP. Contrary to available approaches, we suggest, that a strategy of prediction should be based on the fact, that there are several…

生物大分子 · 定量生物学 2013-10-31 Boris Vishnepolsky , Malak Pirtskhalava

Antimicrobial peptides (AMPs) play important roles in cancer, autoimmune diseases, and aging. A critical aspect of AMP functionality is their targeted interaction with pathogen membranes, which often possess altered lipid compositions.…

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