![Overview. (a) Composition of a bacterial cell by weight, with a breakdown of the chemical constituents [21]. About 40% of these compounds are not properly covered in existing datasets. (b) Multi-step workflow used to construct QCell, beginning with the selection of building blocks, followed by conformational sampling and fragment selection, pre-optimization with DFTB+MBD, and finally hybrid PBE0+MBD(-NL) calculations. (c) Coverage of molecular species at the PBE0+MBD(-NL) level of theory, including entries from existing databases and newly generated QCell data for nucleic acid fragments, lipids, sugars, solvated ions, and dimers. -- AI for Science](https://i0.wp.com/astrobiology.com/wp-content/uploads/2026/04/Mapping-The-Molecules-Of-Life.png?resize=1200%2C719&ssl=1)
Machine learning force fields (MLFFs) are rapidly transforming molecular simulations by combining the accuracy of quantum mechanics with the speed of classical approaches. However, training reliable MLFFs for biological systems […]
Editor’s note: with recent speculation about the potential habitability of other worlds and understanding the processes whereby other biospheres arise and evolve, thought needs to be given to developing sensor […]
Spaceflight imposes substantial physiological stress on reproductive systems, yet relevant transcriptomic data remain fragmented across repositories. To address this need, we developed ASTROREPOMICS, a web-based platform that integrates 17 rigorously […]
The number of known proteins is infinitely small in comparison to the universe of possible proteins which could in theory be realized. Yet these known proteins are the only major […]
Editor’s note: with recent speculation about the potential habitability of other worlds and understanding the processes whereby other biospheres arise and evolve, thought needs to be given to developing sensor […]
Extremophiles are microorganisms that thrive in environments previously thought to be uninhabitable, including extreme temperature, salinity, pH, pressure, and radiation.
Editor’s note: with recent speculation about the potential habitability of other worlds and understanding the processes whereby other biospheres arise and evolve, thought needs to be given to developing sensor […]
Editor’s note: with recent speculation about the potential habitability of other worlds and understanding the processes whereby other biospheres arise and evolve, thought needs to be given to developing sensor […]
A new collaboration between EMBL’s European Bioinformatics Institute (EMBL-EBI), Google DeepMind, NVIDIA, and Seoul National University has made millions of AI-predicted protein complex structures openly available through the AlphaFold Database. […]
Samples collected from the carbonaceous near-Earth asteroid Bennu and delivered to Earth by NASA’s OSIRIS-REx mission contain organic molecules relevant to prebiotic chemistry.
