AIMC Topic: Proteins

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Multi-Neighborhood Learning for Global Alignment in Biological Networks.

IEEE/ACM transactions on computational biology and bioinformatics Dec 8, 2021
The global alignment of biological networks (GABN) aims to find an optimal alignment between proteins across species, such that both the biological structures and the topological structures of the proteins are maximally conserved. The research on GAB...
Machine Learning Models, Biological Computational Biology Proteins Algorithms Protein Interaction Maps
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Categorical Matrix Completion With Active Learning for High-Throughput Screening.

IEEE/ACM transactions on computational biology and bioinformatics Dec 8, 2021
The recent advances in wet-lab automation enable high-throughput experiments to be conducted seamlessly. In particular, the exhaustive enumeration of all possible conditions is always involved in high-throughput screening. Nonetheless, such a screeni...
Supervised Machine Learning High-Throughput Screening Assays Algorithms Computational Biology Proteins Computer Simulation
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Enhanced Protein Structural Class Prediction Using Effective Feature Modeling and Ensemble of Classifiers.

IEEE/ACM transactions on computational biology and bioinformatics Dec 8, 2021
Protein Secondary Structural Class (PSSC) information is important in investigating further challenges of protein sequences like protein fold recognition, protein tertiary structure prediction, and analysis of protein functions for drug discovery. Id...
Sequence Analysis, Protein Support Vector Machine Proteins Amino Acid Sequence Protein Structure, Secondary Databases, Protein Machine Learning Computational Biology
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Drug-Target Interaction Prediction: End-to-End Deep Learning Approach.

IEEE/ACM transactions on computational biology and bioinformatics Dec 8, 2021
The discovery of potential Drug-Target Interactions (DTIs) is a determining step in the drug discovery and repositioning process, as the effectiveness of the currently available antibiotic treatment is declining. Although putting efforts on the tradi...
Neural Networks, Computer Machine Learning Humans Deep Learning Computational Biology Proteins Algorithms Drug Discovery Amino Acid Sequence Drug Repositioning Pharmaceutical Preparations
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A Deep Learning Framework for Gene Ontology Annotations With Sequence- and Network-Based Information.

IEEE/ACM transactions on computational biology and bioinformatics Dec 8, 2021
Knowledge of protein functions plays an important role in biology and medicine. With the rapid development of high-throughput technologies, a huge number of proteins have been discovered. However, there are a great number of proteins without function...
Gene Ontology Amino Acid Sequence Molecular Sequence Annotation Algorithms Deep Learning Computational Biology Proteins Software Protein Interaction Maps
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De novo protein design by deep network hallucination.

Nature Dec 1, 2021
There has been considerable recent progress in protein structure prediction using deep neural networks to predict inter-residue distances from amino acid sequences. Here we investigate whether the information captured by such networks is sufficiently...
Humans Neural Networks, Computer Crystallography, X-Ray Protein Conformation Hallucinations Proteins Amino Acid Sequence
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Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds.

Journal of computational chemistry Nov 30, 2021
Identifying potential associations between proteins and compounds is significant and challenging in the drug discovery process. Existing deep-learning-based methods tend to treat compounds and proteins as sequences or graphs. Inspired by the rapid de...
Molecular Conformation Neural Networks, Computer Binding Sites Proteins Pharmaceutical Preparations
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Unsupervised Representation Learning for Proteochemometric Modeling.

International journal of molecular sciences Nov 28, 2021
In silico protein-ligand binding prediction is an ongoing area of research in computational chemistry and machine learning based drug discovery, as an accurate predictive model could greatly reduce the time and resources necessary for the detection a...
Cheminformatics Ligands Proteins Unsupervised Machine Learning Quantitative Structure-Activity Relationship
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Evaluation of Deep Neural Network ProSPr for Accurate Protein Distance Predictions on CASP14 Targets.

International journal of molecular sciences Nov 27, 2021
The field of protein structure prediction has recently been revolutionized through the introduction of deep learning. The current state-of-the-art tool AlphaFold2 can predict highly accurate structures; however, it has a prohibitively long inference ...
Protein Folding Sequence Alignment Amino Acid Sequence Humans Software Design Computational Biology Protein Conformation Neural Networks, Computer Protein Structural Elements Proteins
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Bioinspired translation of classical music intoprotein structures using deep learning and molecular modeling.

Bioinspiration & biomimetics Nov 26, 2021
Architected biomaterials, as well as sound and music, are constructed from small building blocks that are assembled across time- and length-scales. Here we present a novel deep learning-enabled integrated algorithmic workflow to merge the two concept...
Proteins Sound Creativity Music Animals Deep Learning
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