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Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

机器学习 · 计算机科学 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

This paper presents our computational methodology using Genetic Algorithms (GA) for exploring the nature of RNA editing. These models are constructed using several genetic editing characteristics that are gleaned from the RNA editing system…

神经与进化计算 · 计算机科学 2007-05-23 C. Huang , L. M. Rocha

How DNA is mapped to functional proteins is a basic question of living matter. We introduce and study a physical model of protein evolution which suggests a mechanical basis for this map. Many proteins rely on large-scale motion to…

生物物理 · 物理学 2017-08-18 Tsvi Tlusty , Albert Libchaber , Jean-Pierre Eckmann

Recently described stochastic models of protein evolution have demonstrated that the inclusion of structural information in addition to amino acid sequences leads to a more reliable estimation of evolutionary parameters. We present a…

We construct codes over the ring $\mathbb{F}_2+u\mathbb{F}_2$ with $u^2=0$. These code are designed for use in DNA computing applications. The codes obtained satisfy the reverse complement constraint, the $GC$ content constraint and avoid…

信息论 · 计算机科学 2012-07-17 Kenza Guenda , T. Aaron Gulliver

Predicting the three-dimensional (3D) functional structures of proteins remains an important computational milestone in molecular biology to be achieved. This feat is hinged on a clear understanding of the mechanism which proteins use to…

生物大分子 · 定量生物学 2019-11-28 Samuel Nkrumah

In recent years, there has been a surge in the development of 3D structure-based pre-trained protein models, representing a significant advancement over pre-trained protein language models in various downstream tasks. However, most existing…

机器学习 · 计算机科学 2024-06-04 Jiale Zhao , Wanru Zhuang , Jia Song , Yaqi Li , Shuqi Lu

A reduced model, which can fold both helix and sheet structures, is proposed to study the problem of protein folding. The goal of this model is to find an unbiased effective potential that has included the effects of water and at the same…

软凝聚态物质 · 物理学 2007-05-23 Nan-yow Chen

The tertiary structure of protein, as well as the local secondary structure organization are fully determined by the angles of the peptidic bound. The backbone dihedral angles not only determine the global fold of the protein, but also the…

生物大分子 · 定量生物学 2011-11-24 Matthieu Tanty , Marc-André Delsuc

Structure-based drug design (SBDD) aims to discover drug candidates by finding molecules (ligands) that bind tightly to a disease-related protein (targets), which is the primary approach to computer-aided drug discovery. Recently, applying…

定量方法 · 定量生物学 2022-12-01 Tianfan Fu , Wenhao Gao , Connor W. Coley , Jimeng Sun

Understanding how different information sources together transmit information is crucial in many domains. For example, understanding the neural code requires characterizing how different neurons contribute unique, redundant, or synergistic…

神经元与认知 · 定量生物学 2018-04-04 Daniel Chicharro , Giuseppe Pica , Stefano Panzeri

Because genomes are products of natural processes rather than intelligent design, all genomes contain functional and nonfunctional parts. The fraction of the genome that has no biological function is called rubbish DNA. Rubbish DNA consists…

基因组学 · 定量生物学 2016-01-25 Dan Graur

The frequencies of A, C, G and T in mitochondrial DNA vary among species due to unequal rates of mutation between the bases. The frequencies of bases at four-fold degenerate sites respond directly to mutation pressure. At 1st and 2nd…

种群与进化 · 定量生物学 2016-09-08 Daniel Urbina , Bin Tang , Paul G. Higgs

Protein design is a fundamental challenge in biotechnology, aiming to design novel sequences with specific functions within the vast space of possible proteins. Recent advances in deep generative models have enabled function-based protein…

机器学习 · 计算机科学 2025-10-15 Nuowei Liu , Jiahao Kuang , Yanting Liu , Tao Ji , Changzhi Sun , Man Lan , Yuanbin Wu

Most amino acids are encoded by multiple synonymous codons. For an amino acid, some of its synonymous codons are used much more rarely than others. Analyses of positions of such rare codons in protein sequences revealed that rare codons can…

分子网络 · 定量生物学 2019-07-09 Khalique Newaz , Gabriel Wright , Jacob Piland , Jun Li , Patricia Clark , Scott Emrich , Tijana Milenkovic

Predicting the three-dimensional (3D) structure of a protein from its primary sequence of amino acids is known as the protein folding (PF) problem. Due to the central role of proteins' 3D structures in chemistry, biology and medicine…

量子物理 · 物理学 2021-03-18 Anton Robert , Panagiotis Kl. Barkoutsos , Stefan Woerner , Ivano Tavernelli

Each human genome is a 3 billion base pair set of encoding instructions. Decoding the genome using deep learning fundamentally differs from most tasks, as we do not know the full structure of the data and therefore cannot design…

机器学习 · 计算机科学 2016-05-24 Laura Deming , Sasha Targ , Nate Sauder , Diogo Almeida , Chun Jimmie Ye

A mutation in a protein-coding gene in DNA can alter the protein structure coded by the same gene. Structurally altered proteins usually lose their functions and sometimes gain an undesirable function instead. These types of mutations and…

定量方法 · 定量生物学 2017-08-29 Kaan Aygen , Berkay Celik , Umut Eser

Proteins are biomolecules of life. They fold into a great variety of three-dimensional (3D) shapes. Underlying these folding patterns are many recurrent structural fragments or building blocks (analogous to `LEGO bricks'). This paper…

定量方法 · 定量生物学 2013-10-08 Arun S. Konagurthu , Arthur M. Lesk , David Abramson , Peter J. Stuckey , Lloyd Allison

We introduce the simple parametrization for the space of codons (triples of nucleotides) by 8\times 8 table. This table (which we call the dyadic plane) possesses the natural 2-adic ultrametric. We show that after this parametrization the…

定量方法 · 定量生物学 2009-11-13 A. Yu. Khrennikov , S. V. Kozyrev
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