NSF Research Award!

Post date: Aug 2, 2014 9:55:49 AM

We are happy to announce that the research project: High performance Software for Large-Scale Modeling of Binding Equilibria will be supported for two years by a grant from the National Science Foundation.

The main goal of the project is to port our Binding Energy Distribution Analysis Method algorithms for the estimation of protein-ligand and protein-protein binding free energies to parallel architectures. We intend to achieve speed-ups of one to two orders of magnitude on many-core processors and GPU's to make the software applicable to many more systems that has been possible so far.