4 papers · ranked by Valyu relevance
Miguel Arribas Tiemblo, Alicia Rodríguez-Moreno, Felipe Gómez, Ester Lázaro
Viruses are among the simplest biological entities capable of replication. Their robustness and adaptability make them relevant not only to terrestrial ecosystems but also to astrobiological exploration. As durable entities, they may persist in environments far harsher than those tolerable to cellular life and are…
José J. Naveja-Romero, Fernanda I. Saldívar-González, Diana L. Prado-Romero, Angel J. Ruiz-Moreno + 3 more
The manuscript discusses recent advances on computer-aided drug discovery (CADD) with focus on data-dependent drug discovery. Herein, we do not intend to review the many CADD methodologies comprehensively. Instead, the review discusses progress on selected concepts, methodologies, resources, and applications that are…
Madis Vasser, Markus Kängsepp, Murad Magomedkerimov, Kälver Kilvits + 4 more
We present VREX, a free open-source Unity toolbox for virtual reality research in the fields of experimental psychology and neuroscience. Different study protocols about perception, attention, cognition and memory can be constructed using the toolbox. VREX provides a procedural generation of (interconnected) rooms that…
Peter Reinholdt, Erik Kjellgren, Casper Steinmann, Jógvan Magnus Haugaard Olsen
The fragment-based polarizable embedding model combined with an appropriate electronic-structure method constitutes a highly efficient and accurate multiscale approach for computing spectroscopic properties of a central moiety including effects from its molecular environment through an embedding potential. There is…