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Amino acid sequence portrays most intrinsic form of a protein and expresses primary structure of protein. The order of amino acids in a sequence enables a protein to acquire a particular stable conformation that is responsible for the…

Machine Learning · Computer Science 2022-08-29 Ashish Ranjan , Md Shah Fahad , David Fernandez-Baca , Akshay Deepak , Sudhakar Tripathi

Protein secondary structure (SS) prediction is important for studying protein structure and function. When only the sequence (profile) information is used as input feature, currently the best predictors can obtain ~80% Q3 accuracy, which…

Biomolecules · Quantitative Biology 2015-12-14 Sheng Wang , Jian Peng , Jianzhu Ma , Jinbo Xu

Given native 2D contact map, protein 3D structure could be reconstructed with accuracy of 2A or better, and such reconstruction is a feasible computational approach for protein folding problem. The prediction accuracy from traditional…

Biomolecules · Quantitative Biology 2019-06-12 Yuhong Wang , Wei Li , Hongmao Sun , Kennie Cruz-Gutierrez

Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive,…

Computer Vision and Pattern Recognition · Computer Science 2020-09-01 Alexander Hudson , Shaogang Gong

Prediction of one-dimensional protein structures such as secondary structures and contact numbers is useful for the three-dimensional structure prediction and important for the understanding of sequence-structure relationship. Here we…

Biomolecules · Quantitative Biology 2007-05-23 Akira R. Kinjo , Ken Nishikawa

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.…

Biomolecules · Quantitative Biology 2019-06-27 Fusong Ju , Jianwei Zhu , Guozheng Wei , Qi Zhang , Shiwei Sun , Dongbo Bu

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

The GOR program for predicting protein secondary structure is extended to include triple correlation. A score system for a residue pair to be at certain conformation state is derived from the conditional weight matrix describing amino acid…

Biological Physics · Physics 2007-05-23 Xin Liu , Li-mei Zhang , Wei-Mou Zheng

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

Predicting the secondary structure of RNA is a core challenge in computational biology, essential for understanding molecular function and designing novel therapeutics. The field has evolved from foundational but accuracy-limited…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Giovanni Bussi , Guido Sanguinetti

Training deep recurrent neural network (RNN) architectures is complicated due to the increased network complexity. This disrupts the learning of higher order abstracts using deep RNN. In case of feed-forward networks training deep…

Computation and Language · Computer Science 2018-08-07 Murali Karthick Baskar , Martin Karafiat , Lukas Burget , Karel Vesely , Frantisek Grezl , Jan Honza Cernocky

The neural network techniques are developed for artificial sequences based on approximate models of proteins. We only encode the hydrophobicity of the amino acid side chains without attempting to model the secondary structure. We use our…

Soft Condensed Matter · Physics 2024-07-17 R. G. Reilly , M. -T. Kechadi , Yu. A. Kuznetsov , E. G. Timoshenko , K. A. Dawson

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

Is protein secondary structure primarily determined by local interactions between residues closely spaced along the amino acid backbone, or by non-local tertiary interactions? To answer this question we have measured the entropy densities…

Biomolecules · Quantitative Biology 2007-05-23 Gavin E. Crooks , Steven E. Brenner

Recently, deep architectures, such as recurrent and recursive neural networks have been successfully applied to various natural language processing tasks. Inspired by bidirectional recurrent neural networks which use representations that…

Machine Learning · Computer Science 2013-12-03 Ozan İrsoy , Claire Cardie

The predictive learning of spatiotemporal sequences aims to generate future images by learning from the historical context, where the visual dynamics are believed to have modular structures that can be learned with compositional subsystems.…

Machine Learning · Computer Science 2022-04-12 Yunbo Wang , Haixu Wu , Jianjin Zhang , Zhifeng Gao , Jianmin Wang , Philip S. Yu , Mingsheng Long

Predicting protein secondary structure using lattice model is one of the most studied computational problem in bioinformatics. Here secondary structure or three dimensional structure of protein is predicted from its amino acid sequence.…

Computational Engineering, Finance, and Science · Computer Science 2014-07-18 Dipan Lal Shaw , M. Sohel Rahman , A. S. M. Sohidull Islam , Shuvasish Karmaker

Predicting protein structure from the amino acid sequence has been a challenge with theoretical and practical significance in biophysics. Despite the recent progresses elicited by improved residue-residue contact prediction, contact-based…

Biomolecules · Quantitative Biology 2019-12-19 Wenze Ding , Haipeng Gong

Recurrent neural networks can learn complex transduction problems that require maintaining and actively exploiting a memory of their inputs. Such models traditionally consider memory and input-output functionalities indissolubly entangled.…

Machine Learning · Computer Science 2018-11-09 Davide Bacciu , Antonio Carta , Alessandro Sperduti

Feedforward Neural Network (FNN)-based language models estimate the probability of the next word based on the history of the last N words, whereas Recurrent Neural Networks (RNN) perform the same task based only on the last word and some…

Computation and Language · Computer Science 2017-03-24 Youssef Oualil , Clayton Greenberg , Mittul Singh , Dietrich Klakow