AIMC Topic: Ion Channels

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NRN-EZ: an application to streamline biophysical modeling of synaptic integration using NEURON.

Scientific reports Jan 10, 2023
One of the fundamental goals in neuroscience is to determine how the brain processes information and ultimately controls the execution of complex behaviors. Over the past four decades, there has been a steady growth in our knowledge of the morphologi...
Neural Networks, Computer Synapses Time Ion Channels Models, Neurological Neurons
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Prediction Models for Identifying Ion Channel-Modulating Peptides via Knowledge Transfer Approaches.

IEEE journal of biomedical and health informatics Dec 7, 2022
Ion channels, which can be modulated by peptides, are promising drug targets for neurological, metabolic, and cardiovascular disorders. Because it is expensive and labor-intensive to experimentally screen ion channel-modulating peptides (IMPs), in-si...
Peptides Ion Channels Humans Machine Learning
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Multi-Branch-CNN: Classification of ion channel interacting peptides using multi-branch convolutional neural network.

Computers in biology and medicine Jun 8, 2022
Ligand peptides that have high affinity for ion channels are critical for regulating ion flux across the plasma membrane. These peptides are now being considered as potential drug candidates for many diseases, such as cardiovascular disease and cance...
Neural Networks, Computer Peptides Sodium Ion Channels Potassium
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Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel-Ligand Docking.

Journal of chemical information and modeling Apr 21, 2022
The identification of promising lead compounds showing pharmacological activities toward a biological target is essential in early stage drug discovery. With the recent increase in available small-molecule databases, virtual high-throughput screening...
Protein Binding Ligands Ion Channels Neural Networks, Computer Molecular Docking Simulation
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Prediction of Drug-Target Interactions by Combining Dual-Tree Complex Wavelet Transform with Ensemble Learning Method.

Molecules (Basel, Switzerland) Sep 3, 2021
Identification of drug-target interactions (DTIs) is vital for drug discovery. However, traditional biological approaches have some unavoidable shortcomings, such as being time consuming and expensive. Therefore, there is an urgent need to develop no...
Drug Development Support Vector Machine Databases, Protein Receptors, Cytoplasmic and Nuclear Enzymes Receptors, G-Protein-Coupled Ion Channels Wavelet Analysis
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Artificial neural network model for predicting changes in ion channel conductance based on cardiac action potential shapes generated via simulation.

Scientific reports Apr 9, 2021
Many studies have revealed changes in specific protein channels due to physiological causes such as mutation and their effects on action potential duration changes. However, no studies have been conducted to predict the type of protein channel abnorm...
Ion Channel Gating Cardiac Electrophysiology Single-Cell Analysis Action Potentials Myocytes, Cardiac Ion Channels Neurons Machine Learning Computer Simulation Neural Networks, Computer
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Exploration of natural red-shifted rhodopsins using a machine learning-based Bayesian experimental design.

Communications biology Mar 19, 2021
Microbial rhodopsins are photoreceptive membrane proteins, which are used as molecular tools in optogenetics. Here, a machine learning (ML)-based experimental design method is introduced for screening rhodopsins that are likely to be red-shifted from...
Rhodopsins, Microbial Escherichia coli Databases, Protein Machine Learning Proof of Concept Study Hydrogen-Ion Concentration Bayes Theorem Sequence Analysis, Protein Light Optogenetics Color Amino Acid Sequence Ion Channels Protein Conformation, alpha-Helical
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Incorporating a transfer learning technique with amino acid embeddings to efficiently predict N-linked glycosylation sites in ion channels.

Computers in biology and medicine Jan 7, 2021
Glycosylation is a dynamic enzymatic process that attaches glycan to proteins or other organic molecules such as lipoproteins. Research has shown that such a process in ion channel proteins plays a fundamental role in modulating ion channel functions...
Amino Acid Sequence Ion Channels Machine Learning Glycosylation Amino Acids
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ICTC-RAAC: An improved web predictor for identifying the types of ion channel-targeted conotoxins by using reduced amino acid cluster descriptors.

Computational biology and chemistry Sep 7, 2020
Conotoxins are small peptide toxins which are rich in disulfide and have the unique diversity of sequences. It is significant to correctly identify the types of ion channel-targeted conotoxins because that they are considered as the optimal pharmacol...
Ion Channels Conotoxins Computational Biology Amino Acids Internet Amino Acid Sequence Support Vector Machine Databases, Protein
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A Machine Learning Approach for Drug-target Interaction Prediction using Wrapper Feature Selection and Class Balancing.

Molecular informatics Feb 11, 2020
Drug-Target interaction (DTI) plays a crucial role in drug discovery, drug repositioning and understanding the drug side effects which helps to identify new therapeutic profiles for various diseases. However, the exponential growth in the genomic and...
Enzymes Ion Channels Databases, Chemical Receptors, Cytoplasmic and Nuclear Drug Development Databases, Protein Pharmaceutical Preparations Amino Acid Sequence Receptors, G-Protein-Coupled Computer Simulation Machine Learning Drug Discovery Algorithms
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