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Deep Learning shows very good performance when trained on large labeled data sets. The problem of training a deep net on a few or one sample per class requires a different learning approach which can generalize to unseen classes using only…

Machine Learning · Computer Science 2018-08-23 Jinchao Liu , Stuart J. Gibson , Margarita Osadchy

Photonic tensor cores (PTCs) are essential building blocks for optical artificial intelligence (AI) accelerators based on programmable photonic integrated circuits. Most PTC designs today are manually constructed, with low design efficiency…

Emerging Technologies · Computer Science 2024-10-03 Ziyang Jiang , Pingchuan Ma , Meng Zhang , Rena Huang , Jiaqi Gu

The development of powerful natural language models have increased the ability to learn meaningful representations of protein sequences. In addition, advances in high-throughput mutagenesis, directed evolution, and next-generation…

We present PepEDiff, a novel peptide binder generator that designs binding sequences given a target receptor protein sequence and its pocket residues. Peptide binder generation is critical in therapeutic and biochemical applications, yet…

Artificial Intelligence · Computer Science 2026-03-09 Po-Yu Liang , Tibo Duran , Jun Bai

Understanding the principles of protein folding is a cornerstone of computational biology, with implications for drug design, bioengineering, and the understanding of fundamental biological processes. Lattice protein folding models offer a…

Disordered Systems and Neural Networks · Physics 2025-08-08 Shoummo Ahsan Khandoker , Estelle M. Inack , Mohamed Hibat-Allah

Publicly available collections of drug-like molecules have grown to comprise 10s of billions of possibilities in recent history due to advances in chemical synthesis. Traditional methods for identifying "hit" molecules from a large…

Protein sequence design is a challenging problem in protein engineering, which aims to discover novel proteins with useful biological functions. Directed evolution is a widely-used approach for protein sequence design, which mimics the…

Machine Learning · Computer Science 2023-03-21 Chuanjiao Zong

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Background: A partially random target selection method was developed to design and produce affinity reagents (target) to any protein query. It is based on the recent concept of Proteomic Code (for review see Biro, 2007 [1]) which suggests…

Quantitative Methods · Quantitative Biology 2008-07-22 Jan C Biro

Understanding the dynamic nature of protein structures is essential for comprehending their biological functions. While significant progress has been made in predicting static folded structures, modeling protein motions on microsecond to…

Deep learning has made significant progress in protein structure prediction, advancing the development of computational biology. However, despite the high accuracy achieved in predicting single-chain structures, a significant number of…

Biomolecules · Quantitative Biology 2024-03-08 Zhaoqun Li , Jingcheng Yu , Qiwei Ye

As in many other scientific domains, we face a fundamental problem when using machine learning to identify proteins from mass spectrometry data: large ground truth datasets mapping inputs to correct outputs are extremely difficult to…

A promising technique of discovering disease biomarkers is to measure the relative protein abundance in multiple biofluid samples through liquid chromatography with tandem mass spectrometry (LC-MS/MS) based quantitative proteomics. The key…

Computer Vision and Pattern Recognition · Computer Science 2020-09-16 Fatema Tuz Zohora , M Ziaur Rahman , Ngoc Hieu Tran , Lei Xin , Baozhen Shan , Ming Li

Protein inverse folding aims to identify viable amino acid sequences that can fold into given protein structures, enabling the design of novel proteins with desired functions for applications in drug discovery, enzyme engineering, and…

Quantitative Methods · Quantitative Biology 2024-11-05 Taoyu Wu , Yu Guang Wang , Yiqing Shen

In recent years, research has highlighted the association between increased adipose tissue surrounding the human heart and elevated susceptibility to cardiovascular diseases such as atrial fibrillation and coronary heart disease. However,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Guilherme Santos da Silva , Dalcimar Casanova , Jefferson Tales Oliva , Erick Oliveira Rodrigues

Despite considerable efforts, structural prediction of protein-peptide complexes is still a very challenging task, mainly due to two reasons: high flexibility of the peptides and transient character of their interactions with proteins.…

Biomolecules · Quantitative Biology 2016-05-31 Mateusz Kurcinski , Maciej Pawel Ciemny , Maciej Blaszczyk , Andrzej Kolinski , Sebastian Kmiecik

While modern biotechnologies allow synthesizing new proteins and function measurements at scale, efficiently exploring a protein sequence space and engineering it remains a daunting task due to the vast sequence space of any given protein.…

Biomolecules · Quantitative Biology 2024-01-15 Jiahao Qiu , Hui Yuan , Jinghong Zhang , Wentao Chen , Huazheng Wang , Mengdi Wang

Long Short-Term Memory (LSTM) has achieved state-of-the-art performances on a wide range of tasks. Its outstanding performance is guaranteed by the long-term memory ability which matches the sequential data perfectly and the gating…

Neural and Evolutionary Computing · Computer Science 2019-01-29 Shiwei Liu , Decebal Constantin Mocanu , Mykola Pechenizkiy

Excessive consumption of dietary sugars is a major contributor to metabolic disorders, driving global interest in finding alternative sweeteners with reduced caloric impact. Natural sweet proteins, such as brazzein, offer exceptional…

Biomolecules · Quantitative Biology 2026-01-22 Saisai Ding , Yi Zhang

Understanding E3 ligase and target substrate interactions are important for cell biology and therapeutic development. However, experimental identification of E3 target relationships is not an easy task due to the labor-intensive nature of…

Biomolecules · Quantitative Biology 2020-07-24 Seongyong Park , Shujaat Khan , Abdul Wahab
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