AI Medical Compendium Journal:
Archives of biochemistry and biophysics

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Neural-symbolic hybrid model for myosin complex in cardiac ventriculum decodes structural bases for inheritable heart disease from its genetic encoding.

Archives of biochemistry and biophysics Jan 30, 2025
BACKGROUND: Human ventriculum myosin (βmys) powers contraction sometimes in complex with myosin binding protein C (MYBPC3). The latter regulates βmys activity and impacts cardiac function. Single residue variants (SRVs) change protein sequence in βmy...
Humans Neural Networks, Computer Carrier Proteins Heart Ventricles Heart Diseases Ventricular Myosins
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Tackling APOE's structural challenges via in silico modeling in the era of neural networks: Can AlphaFold II help circumvent the problem of lacking full-length protein structure?

Archives of biochemistry and biophysics Oct 22, 2024
The APOE gene, encoding apolipoprotein E, is a predictor of longevity and age-related diseases. Despite numerous genetic studies, the data on molecular mechanisms by which apolipoprotein E affects the human phenotype remain incomplete due to the stru...
Humans Neural Networks, Computer Molecular Docking Simulation Molecular Dynamics Simulation Protein Conformation Apolipoproteins E
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Artificial intelligence in the early stages of drug discovery.

Archives of biochemistry and biophysics Dec 19, 2020
Although the use of computational methods within the pharmaceutical industry is well established, there is an urgent need for new approaches that can improve and optimize the pipeline of drug discovery and development. In spite of the fact that there...
Humans Animals Drug Discovery Deep Learning Protein Binding Cell Line Proteins Drug Repositioning Pharmaceutical Preparations Ligands
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