AIMC Topic: Adenosine Triphosphate

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Accurate prediction of protein-ATP binding residues using position-specific frequency matrix.

Analytical biochemistry May 7, 2021
Knowledge of protein-ATP interaction can help for protein functional annotation and drug discovery. Accurately identifying protein-ATP binding residues is an important but challenging task to gain the knowledge of protein-ATP interactions, especially...
Protein Binding Computational Biology Proteins Adenosine Triphosphate Humans Neural Networks, Computer Algorithms
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Prediction of Protein-ATP Binding Residues Based on Ensemble of Deep Convolutional Neural Networks and LightGBM Algorithm.

International journal of molecular sciences Jan 19, 2021
Accurately identifying protein-ATP binding residues is important for protein function annotation and drug design. Previous studies have used classic machine-learning algorithms like support vector machine (SVM) and random forest to predict protein-AT...
Support Vector Machine Carrier Proteins Proteins Amino Acid Sequence Machine Learning Algorithms Protein Binding Computational Biology Adenosine Triphosphate Humans Neural Networks, Computer
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Spatiotemporal identification of druggable binding sites using deep learning.

Communications biology Oct 27, 2020
Identification of novel protein binding sites expands druggable genome and opens new opportunities for drug discovery. Generally, presence or absence of a binding site depends on the three-dimensional conformation of a protein, making binding site id...
Models, Biological Ion Channel Gating Deep Learning Software Adenosine Triphosphate Receptors, Purinergic P2X3 Protein Binding Drug Delivery Systems Protein Conformation Receptors, G-Protein-Coupled Binding Sites Models, Molecular
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Design a fluorometric aptasensor based on CoOOH nanosheets and carbon dots for simultaneous detection of lysozyme and adenosine triphosphate.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Feb 29, 2020
Simultaneous detection of biomarkers and biomolecules with great analytical performance still is challenging. A simple fluorometric dual-functional aptasensor was designed to detect Lysozyme (LYS) and adenosine triphosphate (ATP) as models of a prote...
Aptamers, Nucleotide Oxides Adenosine Triphosphate Cobalt Electronic Data Processing Biosensing Techniques Support Vector Machine Quantum Dots Spectrometry, Fluorescence Muramidase
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A Multi-Omics Interpretable Machine Learning Model Reveals Modes of Action of Small Molecules.

Scientific reports Jan 22, 2020
High-throughput screening and gene signature analyses frequently identify lead therapeutic compounds with unknown modes of action (MoAs), and the resulting uncertainties can lead to the failure of clinical trials. We developed an approach for uncover...
Autophagy Adenosine Triphosphate Huntington Disease Metabolomics Cell Line Cell Survival Humans Machine Learning Animals Gene Regulatory Networks Mice Genomics Computational Biology Proteomics
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Recognizing five molecular ligand-binding sites with similar chemical structure.

Journal of computational chemistry Oct 23, 2019
Accurate identification of ligand-binding sites and discovering the protein-ligand interaction mechanism are important for understanding proteins' functions and designing new drugs. Meanwhile, accurate computational prediction and mechanism research ...
Guanosine Triphosphate Adenosine Triphosphate Ligands Adenosine Diphosphate Binding Sites Guanosine Diphosphate Support Vector Machine NAD Proteins
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Novel Screening Method Identifies PI3Kα, mTOR, and IGF1R as Key Kinases Regulating Cardiomyocyte Survival.

Journal of the American Heart Association Oct 16, 2019
Background Small molecule kinase inhibitors (KIs) are a class of agents currently used for treatment of various cancers. Unfortunately, treatment of cancer patients with some of the KIs is associated with cardiotoxicity, and there is an unmet need fo...
Adenosine Triphosphate Myocytes, Cardiac Receptor, IGF Type 1 Machine Learning Protein Kinase Inhibitors Phosphatidylinositol 3-Kinases Cardiotoxins TOR Serine-Threonine Kinases Cells, Cultured Animals Rats Cell Survival
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Neural-network classification of cardiac disease from P cardiovascular magnetic resonance spectroscopy measures of creatine kinase energy metabolism.

Journal of cardiovascular magnetic resonance : official journal of the Society for Cardiovascular Magnetic Resonance Aug 12, 2019
BACKGROUND: The heart's energy demand per gram of tissue is the body's highest and creatine kinase (CK) metabolism, its primary energy reserve, is compromised in common heart diseases. Here, neural-network analysis is used to test whether noninvasive...
Myocardium Creatine Kinase Kinetics Adenosine Triphosphate Biomarkers Heart Diseases Male Phosphorus Isotopes Humans Energy Metabolism Female Middle Aged Neural Networks, Computer Aged, 80 and over Reproducibility of Results Magnetic Resonance Spectroscopy Severity of Illness Index Machine Learning Phosphocreatine Aged Young Adult Predictive Value of Tests Adult
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Prediction of ATP-binding sites in membrane proteins using a two-dimensional convolutional neural network.

Journal of molecular graphics & modelling Jul 15, 2019
Membrane proteins, the most important drug targets, account for around 30% of total proteins encoded by the genome of living organisms. An important role of these proteins is to bind adenosine triphosphate (ATP), facilitating crucial biological proce...
Adenosine Triphosphate Neural Networks, Computer Binding Sites Models, Theoretical Machine Learning Amino Acid Motifs Databases, Protein Algorithms Position-Specific Scoring Matrices Web Browser Reproducibility of Results Amino Acid Sequence ROC Curve Computational Biology Membrane Proteins
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Machine-Learning-Driven Surface-Enhanced Raman Scattering Optophysiology Reveals Multiplexed Metabolite Gradients Near Cells.

ACS nano Feb 12, 2019
The extracellular environment is a complex medium in which cells secrete and consume metabolites. Molecular gradients are thereby created near cells, triggering various biological and physiological responses. However, investigating these molecular gr...
HeLa Cells Spectrum Analysis, Raman Humans Fibroblasts Machine Learning Human Umbilical Vein Endothelial Cells Biosensing Techniques Adenosine Triphosphate
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