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Proteins are the common constituents of all living cells. They are molecular machines that interact with each other as well as with other cell products and carry out a dizzying array of functions with distinction. These interactions follow…

生物大分子 · 定量生物学 2022-05-25 Tatjana Škrbić , Trinh Xuan Hoang , Achille Giacometti , Amos Maritan , Jayanth R. Banavar

Protein language models (PLMs) learn probability distributions over natural protein sequences. By learning from hundreds of millions of natural protein sequences, protein understanding and design capabilities emerge. Recent works have shown…

定量方法 · 定量生物学 2026-02-27 Timothy Fei Truong , Tristan Bepler

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

Living organisms are not just random collections of organic molecules. There is continuous information processing going on in the apparent bouncing around of molecules of life. Optimisation criteria in this information processing can be…

量子物理 · 物理学 2007-05-23 Apoorva Patel

The interactions between DNA, RNA, and proteins are fundamental to biological processes, as illustrated by the central dogma of molecular biology. Although modern biological pre-trained models have achieved great success in analyzing these…

机器学习 · 计算机科学 2025-12-02 Zicheng Liu , Siyuan Li , Zhiyuan Chen , Chang Yu , Qirong Yang , Yucheng Guo , Yujie Yang , Xiaoming Zhang , Stan Z. Li

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

Pre-trained LLMs have demonstrated substantial capabilities across a range of conventional natural language processing (NLP) tasks, such as summarization and entity recognition. In this paper, we explore the application of LLMs in the…

定量方法 · 定量生物学 2024-08-14 Kamyar Zeinalipour , Neda Jamshidi , Monica Bianchini , Marco Maggini , Marco Gori

Proteins are responsible for the most diverse set of functions in biology. The ability to extract information from protein sequences and to predict the effects of mutations is extremely valuable in many domains of biology and medicine.…

定量方法 · 定量生物学 2018-01-04 Sam Sinai , Eric Kelsic , George M. Church , Martin A. Nowak

The ability to absorb mutations while retaining structure and function, or mutational robustness, is a remarkable property of natural proteins. In this Letter, we use a computational model of organismic evolution [Zeldovich et al, PLOS Comp…

生物大分子 · 定量生物学 2008-06-25 Konstantin B. Zeldovich , Eugene I. Shakhnovich

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

机器学习 · 计算机科学 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

机器学习 · 计算机科学 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

The genetic code is the set of rules by which information encoded in genetic material (DNA or RNA sequences) is translated into proteins (amino acid sequences) by living cells. The code defines a mapping between tri-nucleotide sequences,…

其他定量生物学 · 定量生物学 2015-12-03 Jayanta Kumar Das , Atrayee Majumder , Pabitra Pal Choudhury

Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical…

机器学习 · 计算机科学 2025-05-09 Viet Thanh Duy Nguyen , Truong-Son Hy

Since protein mutations are the main driving force of evolution at the molecular level, a proper analysis of them (and the factors controlling them) will enable us to find a response to several crucial queries in evolutionary biology. Among…

种群与进化 · 定量生物学 2024-12-24 J. A. Vila

Protein language models learn powerful representations directly from sequences of amino acids. However, they are constrained to generate proteins with only the set of amino acids represented in their vocabulary. In contrast, chemical…

生物大分子 · 定量生物学 2023-08-21 Daniel Flam-Shepherd , Kevin Zhu , Alán Aspuru-Guzik

Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…

生物大分子 · 定量生物学 2025-01-07 Martin Vögele , Neil J. Thomson , Sang T. Truong , Jasper McAvity , Ulrich Zachariae , Ron O. Dror

Generative modeling for protein engineering is key to solving fundamental problems in synthetic biology, medicine, and material science. We pose protein engineering as an unsupervised sequence generation problem in order to leverage the…

Unlocking the next generation of biotechnology and therapeutic innovation demands overcoming the inherent complexity and resource-intensity of conventional protein engineering methods. Recent GenAI-powered computational techniques often…

Computational models starting from large ensembles of evolutionarily related protein sequences capture a representation of protein families and learn constraints associated to protein structure and function. They thus open the possibility…

生物大分子 · 定量生物学 2024-12-30 Damiano Sgarbossa , Umberto Lupo , Anne-Florence Bitbol

Proteins are essential to life's processes, underpinning evolution and diversity. Advances in sequencing technology have revealed millions of proteins, underscoring the need for sophisticated pre-trained protein models for biological…

生物大分子 · 定量生物学 2024-04-25 Shujian Jiao , Bingxuan Li , Lei Wang , Xiaojin Zhang , Wei Chen , Jiajie Peng , Zhongyu Wei