Fast & Accurate QM/MM and Molecular Dynamics Simulations
The popular molecular dynamics suite NAMD goes quantum! We are proud that the developers of NAMD have chosen ORCA as native quantum-chemistry package for this […]
The popular molecular dynamics suite NAMD goes quantum! We are proud that the developers of NAMD have chosen ORCA as native quantum-chemistry package for this […]
Thermodynamics is fundamental for understanding design principles of natural metabolic processes and for engineering new efficient metabolic pathways. Accurate standard Gibbs reaction energies for biochemical […]
Organic small molecules serve as successful agents in numerous contexts in humans, plants and animals. Through the inhibition of reaction pathways that otherwise drive pathogenesis, […]
In a joint effort, researchers from the University of Würzburg, the University of Kinshasa, the Swiss Tropical and Public Health Institute and the University of […]
Self-assembly of biomolecular nanostructures has inspired the invention and discovery of a rich variety of materials with exceptional properties such as semiconductivity, luminescence or high […]