Prediction of Protein Secondary Structure

2012 ◽  
Author(s):  
Satya Nanda Vel Arjunan ◽  
Safaai Deris ◽  
Rosli Md Illias
Keyword(s):  
Protein Structure ◽  
Secondary Structure ◽  
Structure Prediction ◽  
Large Scale ◽  
Secondary Structure Prediction ◽  
State Of The Art ◽  
Protein Structures ◽  
Protein Secondary Structure ◽  
Protein Secondary Structure Prediction ◽  
General Guide

Dengan wujudnya projek jujukan DNA secara besar–besaran, teknik yang tepat untuk meramalkan struktur protein diperlukan. Masalah meramalkan struktur protein daripada jujukan DNA pada dasarnya masih belum dapat diselesaikan walaupun kajian intensif telah dilakukan selama lebih daripada tiga dekad. Dalam kertas kerja ini, teori asas struktur protein akan dibincangkan sebagai panduan umum bagi kajian peramalan struktur protein sekunder. Analisis jujukan terkini serta prinsip yang digunakan dalam teknik–teknik tersebut akan diterangkan. Kata kunci: Peramalan struktur sekunder protein; Rangkaian Neural In the wake of large-scale DNA sequencing projects, accurate tools are needed to predict protein structures. The problem of predicting protein structure from DNA sequence remains fundamentally unsolved even after more than three decades of intensive research. In this paper, fundamental theory of the protein structure will be presented as a general guide to protein secondary structure prediction research. An overview of the state–of–the–art in sequence analysis and some principles of the methods involved wil be described. Key words: Protein secondary structure prediction; Neural networks

scholarly journals Literature Survey of Protein Secondary Structure Prediction

2012 ◽  
Author(s):  
Satya Nanda Vel Arjunan ◽  
Safaai Deris ◽  
Rosli Md Illias
Keyword(s):  
Protein Structure ◽  
Secondary Structure ◽  
Structure Prediction ◽  
Large Scale ◽  
Secondary Structure Prediction ◽  
Protein Structures ◽  
Protein Secondary Structure ◽  
Fundamental Theory ◽  
Protein Secondary Structure Prediction ◽  
General Guide

Dengan wujudnya projek jujukan DNA secara besar-besaran, teknik yang tepat untuk meramalkan struktur protein diperlukan. Masalah meramalkan struktur protein daripada jujukan DNA pada dasarnya masih belum dapat diselesaikan walaupun kajian intensif telah dilakukan selama lebih daripada tiga dekad. Dalam kertas kerja ini, teori asas struktur protein akan dibincangkan sebagai panduan umum bagi kajian peramalan struktur protein sekunder. Analisis jujukan terkini serta prinsi p yang digunakan dalam teknik-teknik tersebut akan diterangkan. Kata kunci: peramalan stuktur sekunder protein; rangkaian neural. In the wake of large-scale DNA sequencing projects, accurate tools are needed to predict protein structures. The problem of predicting protein structure from DNA sequence remains fundamentally unsolved even after more than three decades of intensive research. In this paper, fundamental theory of the protein structure of the protein structure will be presented as a general guide to protein secondary structure prediction research. An overview of the state-of-theart in sequence analysis and some princi ples of the methods invloved wil be described. Key words: protein secondary structure prediction;neural networks.

scholarly journals Improving protein structure prediction by deep learning and computational optimization

2019 ◽  
Author(s):  
◽  
Jie Hou
Keyword(s):  
Deep Learning ◽  
Protein Structure ◽  
Secondary Structure ◽  
Protein Structure Prediction ◽  
Structure Prediction ◽  
Secondary Structure Prediction ◽  
Protein Structures ◽  
Protein Secondary Structure ◽  
Scattering Data ◽  
Protein Secondary Structure Prediction

Protein structure prediction is one of the most important scientific problems in the field of bioinformatics and computational biology. The availability of protein three-dimensional (3D) structure is crucial for studying biological and cellular functions of proteins. The importance of four major sub-problems in protein structure prediction have been clearly recognized. Those include, first, protein secondary structure prediction, second, protein fold recognition, third, protein quality assessment, and fourth, multi-domain assembly. In recent years, deep learning techniques have proved to be a highly effective machine learning method, which has brought revolutionary advances in computer vision, speech recognition and bioinformatics. In this dissertation, five contributions are described. First, DNSS2, a method for protein secondary structure prediction using one-dimensional deep convolution network. Second, DeepSF, a method of applying deep convolutional network to classify protein sequence into one of thousands known folds. Third, CNNQA and DeepRank, two deep neural network approaches to systematically evaluate the quality of predicted protein structures and select the most accurate model as the final protein structure prediction. Fourth, MULTICOM, a protein structure prediction system empowered by deep learning and protein contact prediction. Finally, SAXSDOM, a data-assisted method for protein domain assembly using small-angle X-ray scattering data. All the methods are available as software tools or web servers which are freely available to the scientific community.

scholarly journals Hermes: an ensemble machine learning architecture for protein secondary structure prediction

2019 ◽  
Author(s):  
Larry Bliss ◽  
Ben Pascoe ◽  
Samuel K Sheppard
Keyword(s):  
Machine Learning ◽  
Protein Structure ◽  
Secondary Structure ◽  
Structure Prediction ◽  
Cross Validation ◽  
Secondary Structure Prediction ◽  
Protein Structures ◽  
Lower Boundary ◽  
Protein Secondary Structure ◽  
Homologous Proteins

AbstractMotivationProtein structure predictions, that combine theoretical chemistry and bioinformatics, are an increasingly important technique in biotechnology and biomedical research, for example in the design of novel enzymes and drugs. Here, we present a new ensemble bi-layered machine learning architecture, that directly builds on ten existing pipelines providing rapid, high accuracy, 3-State secondary structure prediction of proteins.ResultsAfter training on 1348 solved protein structures, we evaluated the model with four independent datasets: JPRED4 - compiled by the authors of the successful predictor with the same name, and CASP11, CASP12 & CASP13 - assembled by the Critical Assessment of protein Structure Prediction consortium who run biannual experiments focused on objective testing of predictors. These rigorous, pre-established protocols included 7-fold cross-validation and blind testing. This led to a mean Hermes accuracy of 95.5%, significantly (p<0.05) better than the ten previously published models analysed in this paper. Furthermore, Hermes yielded a reduction in standard deviation, lower boundary outliers, and reduced dependency on solved structures of homologous proteins, as measured by NEFF score. This architecture provides advantages over other pipelines, while remaining accessible to users at any level of bioinformatics experience.Availability and ImplementationThe source code for Hermes is freely available at: https://github.com/HermesPrediction/Hermes. This page also includes the cross-validation with corresponding models, and all training/testing data presented in this study with predictions and accuracy.

scholarly journals By using MADALINE Learning with Back Propagation and Keras to Predict the Protein Secondary Structure

2019 ◽  
Vol 9 (2) ◽  
pp. 4878-4882
Keyword(s):  
Protein Structure ◽  
Secondary Structure ◽  
Structure Prediction ◽  
Secondary Structure Prediction ◽  
Protein Structures ◽  
Back Propagation ◽  
Protein Secondary Structure ◽  
Sigmoid Function ◽  
Crucial Component ◽  
Main Motive

Understanding of intermediate protein structure prediction serves as a crucial component to find the function of residues of amino acid. In this paper, focus on the intermediate protein structure by using feed forward and feedback method and enhancing the concept of sliding window. Prediction of secondary structure is a very cosmic problem of bioinformatics. This can be reduced by predicting or unfold the protein structures if it is unfolded so that can give the great results in medical sciences. Our main motive is to improve the accuracy of secondary structures and minimize the error .Experimentally, use the Multilayer ADALINE network for learning and KERAS TENSORFLOW use for train the weight matrix and sigmoid function for calculating the resultant with back propagation. Resultant of this paper results provides more prominent results as compare to already existing methods. Those improve the accuracy of secondary structure prediction

scholarly journals The Future of Protein Secondary Structure Prediction Was Invented by Oleg Ptitsyn

Biomolecules ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 910
Author(s):  
Daniel Rademaker ◽  
Jarek van Dijk ◽  
Willem Titulaer ◽  
Joanna Lange ◽  
Gert Vriend ◽  
...  
Keyword(s):  
Secondary Structure ◽  
Structure Prediction ◽  
Secondary Structure Prediction ◽  
Protein Structures ◽  
Protein Secondary Structure ◽  
Prediction Method ◽  
Research Field ◽  
Protein Secondary Structure Prediction ◽  
Learning Methods ◽  
Average Percentage

When Oleg Ptitsyn and his group published the first secondary structure prediction for a protein sequence, they started a research field that is still active today. Oleg Ptitsyn combined fundamental rules of physics with human understanding of protein structures. Most followers in this field, however, use machine learning methods and aim at the highest (average) percentage correctly predicted residues in a set of proteins that were not used to train the prediction method. We show that one single method is unlikely to predict the secondary structure of all protein sequences, with the exception, perhaps, of future deep learning methods based on very large neural networks, and we suggest that some concepts pioneered by Oleg Ptitsyn and his group in the 70s of the previous century likely are today’s best way forward in the protein secondary structure prediction field.

scholarly journals Boosting the accuracy of protein secondary structure prediction through nearest neighbor search and method hybridization

2020 ◽  
Vol 36 (Supplement_1) ◽  
pp. i317-i325
Author(s):  
Spencer Krieger ◽  
John Kececioglu
Keyword(s):  
Secondary Structure ◽  
Structure Prediction ◽  
Nearest Neighbor ◽  
Secondary Structure Prediction ◽  
State Of The Art ◽  
Hybrid Approach ◽  
Protein Secondary Structure ◽  
Nearest Neighbor Search ◽  
Protein Secondary Structure Prediction ◽  
Neighbor Search

Abstract Motivation Protein secondary structure prediction is a fundamental precursor to many bioinformatics tasks. Nearly all state-of-the-art tools when computing their secondary structure prediction do not explicitly leverage the vast number of proteins whose structure is known. Leveraging this additional information in a so-called template-based method has the potential to significantly boost prediction accuracy. Method We present a new hybrid approach to secondary structure prediction that gains the advantages of both template- and non-template-based methods. Our core template-based method is an algorithmic approach that uses metric-space nearest neighbor search over a template database of fixed-length amino acid words to determine estimated class-membership probabilities for each residue in the protein. These probabilities are then input to a dynamic programming algorithm that finds a physically valid maximum-likelihood prediction for the entire protein. Our hybrid approach exploits a novel accuracy estimator for our core method, which estimates the unknown true accuracy of its prediction, to discern when to switch between template- and non-template-based methods. Results On challenging CASP benchmarks, the resulting hybrid approach boosts the state-of-the-art Q8 accuracy by more than 2–10%, and Q3 accuracy by more than 1–3%, yielding the most accurate method currently available for both 3- and 8-state secondary structure prediction. Availability and implementation A preliminary implementation in a new tool we call Nnessy is available free for non-commercial use at http://nnessy.cs.arizona.edu.

scholarly journals The influence of dataset homology and a rigorous evaluation strategy on protein secondary structure prediction

PLoS ONE ◽  
2021 ◽  
Vol 16 (7) ◽  
pp. e0254555
Author(s):  
Teng-Ruei Chen ◽  
Chia-Hua Lo ◽  
Sheng-Hung Juan ◽  
Wei-Cheng Lo
Keyword(s):  
Secondary Structure ◽  
Sequence Homology ◽  
Structure Prediction ◽  
Large Scale ◽  
Prediction Models ◽  
Secondary Structure Prediction ◽  
State Of The Art ◽  
Protein Secondary Structure ◽  
Substantial Improvement ◽  
Protein Secondary Structures

The secondary structure prediction (SSP) of proteins has long been an essential structural biology technique with various applications. Despite its vital role in many research and industrial fields, in recent years, as the accuracy of state-of-the-art secondary structure predictors approaches the theoretical upper limit, SSP has been considered no longer challenging or too challenging to make advances. With the belief that the substantial improvement of SSP will move forward many fields depending on it, we conducted this study, which focused on three issues that have not been noticed or thoroughly examined yet but may have affected the reliability of the evaluation of previous SSP algorithms. These issues are all about the sequence homology between or within the developmental and evaluation datasets. We thus designed many different homology layouts of datasets to train and evaluate SSP prediction models. Multiple repeats were performed in each experiment by random sampling. The conclusions obtained with small experimental datasets were verified with large-scale datasets using state-of-the-art SSP algorithms. Very different from the long-established assumption, we discover that the sequence homology between query datasets for training, testing, and independent tests exerts little influence on SSP accuracy. Besides, the sequence homology redundancy between or within most datasets would make the accuracy of an SSP algorithm overestimated, while the redundancy within the reference dataset for extracting predictive features would make the accuracy underestimated. Since the overestimating effects are more significant than the underestimating effect, the accuracy of some SSP methods might have been overestimated. Based on the discoveries, we propose a rigorous procedure for developing SSP algorithms and making reliable evaluations, hoping to bring substantial improvements to future SSP methods and benefit all research and application fields relying on accurate prediction of protein secondary structures.

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