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Protein Structure, Secondary

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Structural protein fold recognition based on secondary structure and evolutionary information using machine learning algorithms.

Computational biology and chemistry Feb 12, 2021
Understanding the function of protein is conducive to research in advanced fields such as gene therapy of diseases, the development and design of new drugs, etc. The prerequisite for understanding the function of a protein is to determine its tertiar...
Humans Machine Learning Amino Acid Sequence Protein Structure, Secondary Protein Folding Algorithms Databases, Protein
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OCLSTM: Optimized convolutional and long short-term memory neural network model for protein secondary structure prediction.

PloS one Feb 3, 2021
Protein secondary structure prediction is extremely important for determining the spatial structure and function of proteins. In this paper, we apply an optimized convolutional neural network and long short-term memory neural network models to protei...
Protein Structure, Secondary Proteins Bayes Theorem Neural Networks, Computer Computational Biology
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SSnet: A Deep Learning Approach for Protein-Ligand Interaction Prediction.

International journal of molecular sciences Jan 30, 2021
Computational prediction of Protein-Ligand Interaction (PLI) is an important step in the modern drug discovery pipeline as it mitigates the cost, time, and resources required to screen novel therapeutics. Deep Neural Networks (DNN) have recently show...
Humans Animals Drug Discovery Binding Sites Protein Structure, Secondary Ligands Protein Domains Caenorhabditis elegans Deep Learning Datasets as Topic Protein Binding
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Prediction of secondary structure population and intrinsic disorder of proteins using multitask deep learning.

AMIA ... Annual Symposium proceedings. AMIA Symposium Jan 25, 2021
Recent research in predicting protein secondary structure populations (SSP) based on Nuclear Magnetic Resonance (NMR) chemical shifts has helped quantitatively characterise the structural conformational properties of intrinsically disordered proteins...
Protein Structure, Secondary Deep Learning Intrinsically Disordered Proteins
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Protein molecular defect detection method based on a neural network algorithm.

Cellular and molecular biology (Noisy-le-Grand, France) Oct 31, 2020
Proteins, as the largest macromolecules in the body, are among the most important components of the body and play very vital and important roles. These substances are made up of a series of amino acid chains that, depending on the type of protein, th...
Amino Acid Sequence Protein Structure, Secondary Computational Biology Proteins Databases, Protein Neural Networks, Computer Algorithms
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A Machine Learning Protocol for Predicting Protein Infrared Spectra.

Journal of the American Chemical Society Oct 30, 2020
Infrared (IR) absorption provides important chemical fingerprints of biomolecules. Protein secondary structure determination from IR spectra is tedious since its theoretical interpretation requires repeated expensive quantum-mechanical calculations i...
Quantum Theory Ubiquitin Spectrophotometry, Infrared Proteins Amides Protein Structure, Secondary Protein Folding Temperature Peptides Machine Learning
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A deep attention network for predicting amino acid signals in the formation of [Formula: see text]-helices.

Journal of bioinformatics and computational biology Aug 6, 2020
The secondary and tertiary structure of a protein has a primary role in determining its function. Even though many folding prediction algorithms have been developed in the past decades - mainly based on the assumption that folding instructions are en...
Databases, Protein Models, Molecular Protein Structure, Secondary Machine Learning Protein Conformation, alpha-Helical Software Amino Acids
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Using machine learning to improve ensemble docking for drug discovery.

Proteins May 25, 2020
Ensemble docking has provided an inexpensive method to account for receptor flexibility in molecular docking for virtual screening. Unfortunately, as there is no rigorous theory to connect the docking scores from multiple structures to measured activ...
Protein Binding Support Vector Machine Ligands ErbB Receptors Bayes Theorem Molecular Docking Simulation Drug Discovery User-Computer Interface Protein Structure, Secondary Humans Protein Kinase Inhibitors Binding Sites
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Haruspex: A Neural Network for the Automatic Identification of Oligonucleotides and Protein Secondary Structure in Cryo-Electron Microscopy Maps.

Angewandte Chemie (International ed. in English) May 11, 2020
In recent years, three-dimensional density maps reconstructed from single particle images obtained by electron cryo-microscopy (cryo-EM) have reached unprecedented resolution. However, map interpretation can be challenging, in particular if the const...
Protein Structure, Secondary Humans Neural Networks, Computer Oligonucleotides DNA Models, Molecular RNA Cryoelectron Microscopy
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Multifaceted analysis of training and testing convolutional neural networks for protein secondary structure prediction.

PloS one May 6, 2020
Protein secondary structure prediction remains a vital topic with broad applications. Due to lack of a widely accepted standard in secondary structure predictor evaluation, a fair comparison of predictors is challenging. A detailed examination of fac...
Protein Structure, Secondary Software Amino Acids Proteins Algorithms Neural Networks, Computer Amino Acid Sequence Deep Learning Databases, Protein
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