Can Current Molecular Docking Methods Accurately Predict RNA Inhibitors?

Ribonucleic acids (RNAs), particularly the noncoding RNAs, play key roles in cancer, making them attractive drug targets. While conventional methods such as high throughput screening are resource-intensive, computational methods such as RNA-ligand docking can be used as an alternative. However, currently available docking methods are fine-tuned to perform protein-ligand and protein-protein docking.

Thermal Runaway Mechanism in Ni-Rich Cathode Full Cells of Lithium-Ion Batteries: The Role of Multidirectional Crosstalk.

Crosstalk, the exchange of chemical species between battery electrodes, significantly accelerates thermal runaway (TR) of lithium-ion batteries. To date, the understanding of their main mechanisms has centered on single-directional crosstalk of oxygen (O) gas from the cathode to the anode, underestimating the exothermic reactions during TR. However, the role of multidirectional crosstalk in steering additional exothermic reactions is yet to be elucidated due to the difficulties of correlative in situ analyses of full cells.

A data-driven machine learning approach for discovering potent LasR inhibitors.

The rampant spread of multidrug-resistant strains severely threatens global health. This severity is compounded against the backdrop of a stagnating antibiotics development pipeline. Moreover, with many promising therapeutics falling short of expectations in clinical trials, targeting the quorum sensing (QS) system remains an attractive therapeutic strategy to combat infection.

Temperature elevation by HIFU in ex vivo porcine muscle: MRI measurement and simulation study.

Purpose: High-intensity focused ultrasound is a rapidly developing medical technology with a large number of potential clinical applications. Computational model can play a pivotal role in the planning and optimization of the treatment based on the patient's image. Nonlinear propagation effects can significantly affect the temperature elevation and should be taken into account.

Effectiveness of acupuncture in the treatment of fibromyalgia.

Context: Fibromyalgia syndrome (FMS) is a prevalent musculoskeletal disorder associated with pain, mood state alteration, and disability. A structured and effective treatment plan for palliative care has not been established. The genesis of FMS is not clear.