AIMC Topic: Protein Unfolding

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Surface-Induced Unfolding Reveals Unique Structural Features and Enhances Machine Learning Classification Models.

Analytical chemistry Mar 14, 2025
Native ion mobility-mass spectrometry combined with collision-induced unfolding (CIU) is a powerful analytical method for protein characterization, offering insights into structural stability and enabling the differentiation of analytes with similar ...
Machine Learning Immunoglobulin G Animals Cattle Mass Spectrometry Surface Properties Lactoglobulins Serum Albumin, Bovine Ion Mobility Spectrometry Protein Unfolding
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Ab initio characterization of protein molecular dynamics with AIBMD.

Nature Nov 6, 2024
Biomolecular dynamics simulation is a fundamental technology for life sciences research, and its usefulness depends on its accuracy and efficiency. Classical molecular dynamics simulation is fast but lacks chemical accuracy. Quantum chemistry methods...
Artificial Intelligence Machine Learning Peptides Time Factors Proteins Density Functional Theory Molecular Dynamics Simulation Quantum Theory Protein Conformation Nuclear Magnetic Resonance, Biomolecular Thermodynamics Protein Folding Protein Unfolding
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Statistical Learning from Single-Molecule Experiments: Support Vector Machines and Expectation-Maximization Approaches to Understanding Protein Unfolding Data.

The journal of physical chemistry. B Jun 2, 2021
Single-molecule force spectroscopy has become a powerful tool for the exploration of dynamic processes that involve proteins; yet, meaningful interpretation of the experimental data remains challenging. Owing to low signal-to-noise ratio, experimenta...
Support Vector Machine Proteins Models, Molecular Motivation Protein Unfolding
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Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks.

Journal of chemical theory and computation Mar 29, 2021
Several experimental studies indicated that large conformational changes, including partial domain unfolding, have a role in the functional mechanisms of the basic helix loop helix Per/ARNT/SIM (bHLH-PAS) transcription factors. Recently, single-molec...
Neural Networks, Computer Basic Helix-Loop-Helix Transcription Factors Molecular Dynamics Simulation Microscopy, Atomic Force Protein Conformation Protein Unfolding
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