AIMC Topic: Viral Proteases

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Enhancing HCV NS3 Inhibitor Classification with Optimized Molecular Fingerprints Using Random Forest.

International journal of molecular sciences Mar 17, 2025
The classification of Hepatitis C virus (HCV) NS3 inhibitors is essential for identifying potential antiviral agents through computational methods. This study aims to develop an optimized machine learning (ML) model using random forest (RF) and molec...
Humans Machine Learning Drug Discovery Antiviral Agents Random Forest Hepacivirus Serine Endopeptidases Viral Nonstructural Proteins Protease Inhibitors DEAD-box RNA Helicases Viral Proteases Nucleoside-Triphosphatase
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A synthetic protein-level neural network in mammalian cells.

Science (New York, N.Y.) Dec 12, 2024
Artificial neural networks provide a powerful paradigm for nonbiological information processing. To understand whether similar principles could enable computation within living cells, we combined de novo-designed protein heterodimers and engineered v...
Humans Neural Networks, Computer Protein Interaction Maps Cell Death Synthetic Biology HEK293 Cells Proteolysis Recombinant Fusion Proteins Protein Engineering Protein Multimerization Viral Proteases
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Machine-Learning Approach to Identify Potential Dengue Virus Protease Inhibitors: A Computational Perspective.

The journal of physical chemistry. B Nov 1, 2024
The global prevalence of dengue virus (DENV), a widespread flavivirus, has led to varied epidemiological impacts, economic burdens, and health consequences. The alarming increase in infections is exacerbated by the absence of approved antiviral agent...
Machine Learning Antiviral Agents Molecular Dynamics Simulation Dengue Virus Serine Endopeptidases Thermodynamics Protease Inhibitors Viral Proteases Viral Protease Inhibitors
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Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease Inhibitors.

International journal of molecular sciences Jul 19, 2021
In the last year, the COVID-19 pandemic has highly affected the lifestyle of the world population, encouraging the scientific community towards a great effort on studying the infection molecular mechanisms. Several vaccine formulations are nowadays a...
Humans Pandemics COVID-19 SARS-CoV-2 Molecular Docking Simulation Antiviral Agents Support Vector Machine Molecular Dynamics Simulation Drug Evaluation, Preclinical Supervised Machine Learning COVID-19 Drug Treatment Viral Nonstructural Proteins Small Molecule Libraries Databases, Pharmaceutical Coronavirus Protease Inhibitors Viral Proteases
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