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相关论文: Protein secondary structure prediction based on qu…

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Learning from 3D protein structures has gained wide interest in protein modeling and structural bioinformatics. Unfortunately, the number of available structures is orders of magnitude lower than the training data sizes commonly used in…

生物大分子 · 定量生物学 2022-06-01 Pedro Hermosilla , Timo Ropinski

The conformational kinetics of enzymes can be reliably revealed when they are governed by Markovian dynamics. Hidden Markov Models (HMMs) are appropriate especially in the case of conformational states that are hardly distinguishable.…

定量方法 · 定量生物学 2009-02-05 A. Kovalev , N. Zarrabi , F. Werz , M. Boersch , Z. Ristic , H. Lill , D. Bald , C. Tietz , J. Wrachtrup

The secondary structure of ribonucleic acid (RNA) is more stable and accessible in the cell than its tertiary structure, making it essential for functional prediction. Although deep learning has shown promising results in this field,…

生物大分子 · 定量生物学 2024-06-21 Cheng Tan , Zhangyang Gao , Hanqun Cao , Xingran Chen , Ge Wang , Lirong Wu , Jun Xia , Jiangbin Zheng , Stan Z. Li

This paper presents a method of reconstruction a primary structure of a protein that folds into a given geometrical shape. This method predicts the primary structure of a protein and restores its linear sequence of amino acids in the…

定量方法 · 定量生物学 2017-01-04 Andrii Riazanov , Mikhail Karasikov , Sergei Grudinin

Sequence set is a widely-used type of data source in a large variety of fields. A typical example is protein structure prediction, which takes an multiple sequence alignment (MSA) as input and aims to infer structural information from it.…

生物大分子 · 定量生物学 2019-06-27 Fusong Ju , Jianwei Zhu , Guozheng Wei , Qi Zhang , Shiwei Sun , Dongbo Bu

Accurately predicting protein structures from amino acid sequences remains a fundamental challenge in computational biology, with profound implications for understanding biological functions and enabling structure-based drug discovery.…

We propose a model that explains the hierarchical organization of proteins in fold families. The model, which is based on the evolutionary selection of proteins by their native state stability, reproduces patterns of amino acids conserved…

统计力学 · 物理学 2007-05-23 Nikolay V. Dokholyan , Eugene I. Shakhnovich

In protein structure analysis, the accurate characterization of secondary structure elements is crucial for understanding protein function and dynamics. This paper presents a software system designed for the comprehensive analysis of the…

生物大分子 · 定量生物学 2024-04-05 Vedh Kannan

Protein post-translational modification (PTM) site prediction is a fundamental task in bioinformatics. Several computational methods have been developed to predict PTM sites. However, existing methods ignore the structure information and…

定量方法 · 定量生物学 2024-01-19 Zhengyi Li , Menglu Li , Lida Zhu , Wen Zhang

DNA segments and sequences have been studied thoroughly during the past decades. One of the main problems in computational biology is the identification of exon-intron structures inside genes using mathematical techniques. Previous studies…

应用统计 · 统计学 2019-07-09 Pavlos Kolias , Alexandra Papadopoulou

The computational prediction of a protein structure from its sequence generally relies on a method to assess the quality of protein models. Most assessment methods rank candidate models using heavily engineered structural features, defined…

生物大分子 · 定量生物学 2018-11-26 Georgy Derevyanko , Sergei Grudinin , Yoshua Bengio , Guillaume Lamoureux

A molecular understanding of how protein function is related to protein structure will require an ability to understand large conformational changes between multiple states. Unfortunately these states are often separated by high free energy…

生物物理 · 物理学 2011-08-08 Juan R. Perilla , Thomas B. Woolf

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

生物大分子 · 定量生物学 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

We study plane trees as a model for RNA secondary structure, assigning energy to each tree based on the Nearest Neighbor Thermodynamic Model, and defining a corresponding Gibbs distribution on the trees. Through a bijection between plane…

组合数学 · 数学 2020-04-03 Anna Kirkpatrick , Kalen Patton

Protein Structure Predication from sequences of amino acid has gained a remarkable attention in recent years. Even though there are some prediction techniques addressing this problem, the approximate accuracy in predicting the protein…

计算工程、金融与科学 · 计算机科学 2014-01-14 Pokkuluri Kiran Sree , Inamupudi Ramesh Babu , SSSN Usha Devi N

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

生物大分子 · 定量生物学 2025-01-06 Weihang Dai

Algorithms that detect covariance between pairs of columns in multiple sequence alignments are commonly employed to predict functionally important residues and structural contacts. However, the assumption that co-variance only occurs…

定量方法 · 定量生物学 2014-01-07 Kyle E. Kreth , Anthony A. Fodor

Spatially proximate amino acids in a protein tend to coevolve. A protein's three-dimensional (3D) structure hence leaves an echo of correlations in the evolutionary record. Reverse engineering 3D structures from such correlations is an open…

定量方法 · 定量生物学 2013-01-15 Magnus Ekeberg , Cecilia Lövkvist , Yueheng Lan , Martin Weigt , Erik Aurell

In biology, predicting RNA secondary structures plays a vital role in determining its physical and chemical properties. Although we have powerful energy models to predict them as well as parametric analysis to understand the models…

生物大分子 · 定量生物学 2023-05-01 Doan Dai Nguyen

The Human Genome Project has led to an exponential increase in data related to the sequence, structure, and function of biomolecules. Bioinformatics is an interdisciplinary research field that primarily uses computational methods to analyze…

生物大分子 · 定量生物学 2024-05-14 Yanlin Zhou , Tong Zhan , Yichao Wu , Bo Song , Chenxi Shi