To combat climate change, the world needs green molecules in addition to green electrons. “If we look how the economy is ...

Department of Pharmacy and Biotechnology (FaBiT), Alma Mater Studiorum - University of Bologna, via Belmeloro 6, 40126 Bologna, Italy Computational & Chemical Biology, Fondazione Istituto Italiano di ...

Note: KIMMDY requires GROMACS to be installed. Some reactions need a GROMACS version patched with PLUMED. The gromacs version name should then contain MODIFIED or ...

Institute of Organic Chemistry and Biochemistry AS CR, Flemingovo nám. 2, 160 00 Prague, Czech Republic Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 120 00 Prague, Czech ...

In this article, I demonstrate how you can setup and maintain a python friendly development environment from within Atom. Ideally, a developer wants to reduce the amount of window/application ...

The generated database GDB17 enumerates 166.4 billion molecules up to 17 atoms of C, N, O, S and halogens following simple rules of chemical stability and synthetic feasibility. However, most ...

Jolecule is a viewer for proteins and DNA designed for making animated slideshows. It runs on web-browsers using WebGL via the three.js library. Jolecule makes it easy to explore and store annotated ...