Kratom (Mitragyna speciosa) contains over 50 alkaloids, yet the pharmacological activity of most remains poorly defined, limiting our understanding of its therapeutic potential and safety profile.

Background: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), first identified in China in December 2019, rapidly spread worldwide, resulting in the coronavirus disease 2019 (COVID-19) ...

Background: In women, breast cancer is currently among the most common cancers and the second major cause of cancer-related mortality. One therapeutic target for breast cancer is the progesterone ...

How proteins make conformational motions is not only a fundamental biophysical question, but also critically important for drug design and other practical applications. Using deep machine learning, ...

Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania ...

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. Many biochemical processes depend on the association of ...

In silico assessment of protein receptor interactions with small ligands is now part of the standard pipeline for drug discovery, and numerous tools and protocols have been developed for this purpose.