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Molecular Chaperones

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Machine Learning of Allosteric Effects: The Analysis of Ligand-Induced Dynamics to Predict Functional Effects in TRAP1.

The journal of physical chemistry. B
Allosteric molecules provide a powerful means to modulate protein function. However, the effect of such ligands on distal orthosteric sites cannot be easily described by classical docking methods. Here, we applied machine learning (ML) approaches to ...

Protein transfer learning improves identification of heat shock protein families.

PloS one
Heat shock proteins (HSPs) play a pivotal role as molecular chaperones against unfavorable conditions. Although HSPs are of great importance, their computational identification remains a significant challenge. Previous studies have two major limitati...

Deep learning-driven insights into super protein complexes for outer membrane protein biogenesis in bacteria.

eLife
To reach their final destinations, outer membrane proteins (OMPs) of gram-negative bacteria undertake an eventful journey beginning in the cytosol. Multiple molecular machines, chaperones, proteases, and other enzymes facilitate the translocation and...

Hspb1 and Lgals3 in spinal neurons are closely associated with autophagy following excitotoxicity based on machine learning algorithms.

PloS one
Excitotoxicity represents the primary cause of neuronal death following spinal cord injury (SCI). While autophagy plays a critical and intricate role in SCI, the specific mechanism underlying the relationship between excitotoxicity and autophagy in S...