Protein Structure Prediction with High Degrees of Freedom in a Gate-Based Quantum Computer.

Protein folding, which traces the protein three-dimensional (3D) structure from its amino acid sequence, is a half-a-century-old problem in biology. The function of the protein correlates with its structure, emphasizing the need to study protein folding to understand the cellular and molecular processes better. While recent AI-based methods have shown significant success in protein structure prediction, their accuracy diminishes with proteins of low sequence similarity.

Interaction of Tau with Kinesin-1: Effect of Kinesin-1 Heavy Chain Elimination on Autophagy-Mediated Mutant Tau Degradation.

Natively unfolded tau has a low propensity to form aggregates, but in tauopathies, such as Alzheimer's disease (AD), tau aggregates into paired helical filaments (PHFs) and neurofibrillary tangles (NFTs). Multiple intracellular transport pathways utilize kinesin-1, a plus-end-directed microtubule-based motor. Kinesin-1 is crucial in various neurodegenerative diseases as it transports multiple cargoes along the microtubules (MT).

Comprehending the Structure, Dynamics, and Mechanism of Action of Drug-Resistant HIV Protease.

Since the emergence of the Human Immunodeficiency Virus (HIV) in the 1980s, strategies to combat HIV-AIDS are continuously evolving. Among the many tested targets to tackle this virus, its protease enzyme (PR) was proven to be an attractive option that brought about numerous research publications and ten FDA-approved drugs to inhibit the PR activity. However, the drug-induced mutations in the enzyme made these small molecule inhibitors ineffective with prolonged usage.