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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…

Artificial Intelligence · Computer Science 2026-02-17 Gen Zhou , Sugitha Janarthanan , Lianghong Chen , Pingzhao Hu

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…

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

Deep learning-based antimicrobial peptide (AMP) discovery faces critical challenges such as limited controllability, lack of representations that efficiently model antimicrobial properties, and low experimental hit rates. To address these…

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…

Biomolecules · Quantitative Biology 2023-08-23 Paulina Szymczak , Ewa Szczurek

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…

Biomolecules · Quantitative Biology 2023-08-22 Danqing Wang , Zeyu Wen , Fei Ye , Lei Li , Hao Zhou

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…

Quantitative Methods · Quantitative Biology 2024-05-03 Li Wang , Yiping Li , Xiangzheng Fu , Xiucai Ye , Junfeng Shi , Gary G. Yen , Xiangxiang Zeng

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

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…

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…

Quantitative Methods · Quantitative Biology 2026-01-15 Yingxu Wang , Victor Liang , Nan Yin , Siwei Liu , Eran Segal

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

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…

Biomolecules · Quantitative Biology 2013-07-24 M. Pirtskhalava , B. Vishnepolsky , M. Grigolava

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)…

Quantitative Methods · Quantitative Biology 2024-06-06 Li Wang , Xiangzheng Fu , Jiahao Yang , Xinyi Zhang , Xiucai Ye , Yiping Liu , Tetsuya Sakurai , 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…

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…

Machine Learning · Computer Science 2021-11-12 Qinze Yu , Zhihang Dong , Xingyu Fan , Licheng Zong , Yu Li

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.…

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…

Biomolecules · Quantitative Biology 2013-10-31 Boris Vishnepolsky , Malak Pirtskhalava

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…

Biomolecules · Quantitative Biology 2019-11-15 Sadaf Gull , Fayyaz Minhas

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

The discovery of novel antibiotics is critical to address the growing antimicrobial resistance (AMR). However, pharmaceutical industries face high costs (over $1 billion), long timelines, and a high failure rate, worsened by the rediscovery…

Computation and Language · Computer Science 2025-03-28 Maxime Delmas , Magdalena Wysocka , Danilo Gusicuma , André Freitas
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