Aquamarine: Quantum-Mechanical Exploration of Conformers and Solvent Effects in Large Drug-like Molecules
Dataset: Other datasets
Persons and affiliations
- Leonardo Medrano Sandonas - , Chair of Materials Science and Nanotechnology (Creator)
- Dries Van Rompaey - , Janssen Pharmaceutica NV (Contributor)
- Alessio Fallani - , Janssen Pharmaceutica NV (Contributor)
- Mathias Hilfiker - , University of Luxembourg (Contributor)
- David Hahn - , Janssen Pharmaceutica NV (Contributor)
- Laura Perez-Benito - , Janssen Pharmaceutica NV (Contributor)
- Jonas Verhoeven - , Janssen Pharmaceutica NV (Contributor)
- Gary Tresadern - , Janssen Pharmaceutica NV (Contributor)
- Joerg Kurt Wegner - , Janssen Pharmaceutica NV (Contributor)
- Hugo Ceulemans - , Janssen Pharmaceutica NV (Contributor)
- Alexandre Tkatchenko - , University of Luxembourg (Contributor)