Acellera is a company that develops machine learning and molecular biology drug discovery and simulation software. The product is intended both for academic and business use. The company was established in 2006 by Gianni de Fabritiis. It is headquartered in London, United Kingdom.
ACEMD Platform is a molecular dynamics simulation software system, comprised of ACEMD, Parameterize, and HTMD. ACEMD functions as the main biomolecular dynamics simulation software, while Parameterize provides the force field. HTMD allows the platform's users to determine simulation conditions before ACEMD operates. It also facilitates users to analyze results generated by ACEMD. ACEMD leverages graphical processing units (GPU) to accelerate simulation speed.
PlayMolecule is a drug design platform. Its range of functionalities enable users to develop novel compounds by exploring, building, and testing protein-ligand complexes, and predict pharmacological properties based on the identified lead. The software is available online on a freemium basis, and the premium alternative also provides a private off-site version.
ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale
M. J. Harvey, G. Giupponi, G. De Fabritiis
May 21, 2009
ACEMD3 -- HTMD 1.22.4 documentation
PlayMolecule - Click. Compute. Discover.