相关论文: Exploring molecular assembly as a biosignature usi…
Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated…
The detection of strong thermochemical disequilibrium in the atmosphere of an extrasolar planet is thought to be a potential biosignature. In this article we present a new kind of false positive that can mimic a disequilibrium or any other…
In recent years, cell-based assays have been frequently used in molecular interaction analysis. Cell-based assays complement traditional biochemical and biophysical methods, as they allow for molecular interaction analysis, mode of action…
Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…
Biological cells, by definition, are the basic units which contain the fundamental molecules of life of which all living things are composed. Understanding how they function and differentiating cells from one another therefore is of…
As computers get faster, researchers -- not hardware or algorithms -- become the bottleneck in scientific discovery. Computational study of colloidal self-assembly is one area that is keenly affected: even after computers generate massive…
We demonstrate that the assembly pathway method underlying assembly theory (AT) is an encoding scheme widely used by popular statistical compression algorithms. We show that in all cases (synthetic or natural) AT performs similarly to other…
The use of reduced models for investigating the self-assembly dynamics underlying protein shell formation in spherical viruses is described. The spontaneous self-assembly of these polyhedral, supramolecular structures, in which icosahedral…
In this study, we present a novel molecular fingerprint generation method based on multiparameter persistent homology. This approach reveals the latent structures and relationships within molecular geometry, and detects topological features…
The evolutionary classification of molecular clumps, crucial for understanding star formation, is commonly based on human-assigned categories derived from infrared (IR) emission and well-established morphological criteria. However, due to…
Some astrobiological models suggest that molecular clouds may serve as habitats for extraterrestrial life. This study reviews recent theoretical work addressing the physical and biochemical prerequisites for life in such environments, with…
Assembly Theory (AT) is a theory that explains how to determine if a complex object is the product of evolution. Here we explain why attempts to compare AT to compression algorithms, ref 1, does not help identify if the object is the…
Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…
Deterministic nanoassembly may enable unique integrated on-chip quantum photonic devices. Such integration requires a careful large-scale selection of nanoscale building blocks such as solid-state single-photon emitters by the means of…
In the coming years and decades, advanced space- and ground-based observatories will allow an unprecedented opportunity to probe the atmospheres and surfaces of potentially habitable exoplanets for signatures of life. Life on Earth, through…
The discovery of inhabited exoplanets hinges on identifying biosignature gases. JWST can reveal biosignature gases, though current discoveries have yet to evidence life. The central challenge is attribution: how can we confidently identify…
Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…
We present a new use of Answer Set Programming (ASP) to discover the molecular structure of chemical samples based on the relative abundance of elements and structural fragments, as measured in mass spectrometry. To constrain the…
Amphiphilic molecules spontaneously form self-assembled structures of various shapes depending on their molecular structures, the temperature, and other physical conditions. The functionalities of these structures are dictated by their…
Solar system exploration provides numerous possibilities for advancing technosignature science. The search for life in the solar system includes missions designed to search for evidence of biosignatures on other planetary bodies, but many…